N-(3-azanyl-3-azanylidene-propyl)-5-[[5-[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-5-[[5-[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-5-[[5-[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-5-[[[5-[[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]-1-oxoprop-2-enyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-2-methyl-3-pyrazolyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-5-[[5-[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carbonyl]amino]-2-methylpyrazole-3-carboxamide Traditional Name: N-(3-amino-3-imino-propyl)-5-[[5-[[4-[[(E)-3-[4-[2-chloroethyl(ethyl)amino]phenyl]acryloyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide Formula: C32H39ClN12O4 MolecularWeight: 691.18306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=C(C=C1)C=CC(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NC4=NN(C(=C4)C(=O)NCCC(=N)N)C)C)C

Isomeric SMILES

CCN(CCCl)C1=CC=C(C=C1)/C=C/C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NC4=NN(C(=C4)C(=O)NCCC(=N)N)C)C)C

InChI

InChI=1S/C32H39ClN12O4/c1-5-45(15-13-33)22-9-6-20(7-10-22)8-11-29(46)37-21-16-23(42(2)19-21)31(48)38-28-18-25(44(4)41-28)32(49)39-27-17-24(43(3)40-27)30(47)36-14-12-26(34)35/h6-11,16-19H,5,12-15H2,1-4H3,(H3,34,35)(H,36,47)(H,37,46)(H,38,41,48)(H,39,40,49)/b11-8+