N-[1-methyl-5-[[4-[[1-methyl-2-[2-(pyridin-2-ylamino)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-methyl-5-[[4-[[1-methyl-2-[2-(pyridin-2-ylamino)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-methyl-5-[[4-[[1-methyl-2-[2-(2-pyridylamino)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide CAS Name: N-[1-methyl-5-[[4-[[[1-methyl-2-[oxo-[2-(2-pyridinylamino)ethylamino]methyl]-4-imidazolyl]amino]-oxomethyl]anilino]-oxomethyl]-3-pyrrolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-methyl-5-[[4-[[1-methyl-2-[2-(pyridin-2-ylamino)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-methyl-5-[[4-[[1-methyl-2-[2-(2-pyridylamino)ethylcarbamoyl]imidazol-4-yl]carbamoyl]phenyl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide Formula: C35H32N10O4 MolecularWeight: 656.69318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN(C(=N3)C(=O)NCCNC4=CC=CC=N4)C)NC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN(C(=N3)C(=O)NCCNC4=CC=CC=N4)C)NC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C35H32N10O4/c1-44-20-26(41-33(47)27-17-23-7-3-4-8-24(23)19-39-27)18-28(44)34(48)40-25-12-10-22(11-13-25)32(46)43-30-21-45(2)31(42-30)35(49)38-16-15-37-29-9-5-6-14-36-29/h3-14,17-21H,15-16H2,1-2H3,(H,36,37)(H,38,49)(H,40,48)(H,41,47)(H,43,46)