N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]-2-methyl-terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]-2-methylbenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methylbenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]-2-methyl-terephthalamide Formula: C35H50N10O4 MolecularWeight: 674.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)CCC(C)C)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)CCC(C)C)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

InChI

InChI=1S/C35H50N10O4/c1-21(2)10-14-44-19-25(17-28(44)34(48)40-12-8-30(36)37)42-32(46)24-6-7-27(23(5)16-24)33(47)43-26-18-29(35(49)41-13-9-31(38)39)45(20-26)15-11-22(3)4/h6-7,16-22H,8-15H2,1-5H3,(H3,36,37)(H3,38,39)(H,40,48)(H,41,49)(H,42,46)(H,43,47)