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

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-methyl-terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(cyclopropylmethyl)-3-pyrrolyl]-2-methylbenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-methylbenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-2-methyl-terephthalamide Formula: C33H42N10O4 MolecularWeight: 642.75118

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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)CC3CC3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CC5CC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)CC3CC3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CC5CC5

InChI

InChI=1S/C33H42N10O4/c1-19-12-22(30(44)40-23-13-26(32(46)38-10-8-28(34)35)42(17-23)15-20-2-3-20)6-7-25(19)31(45)41-24-14-27(33(47)39-11-9-29(36)37)43(18-24)16-21-4-5-21/h6-7,12-14,17-18,20-21H,2-5,8-11,15-16H2,1H3,(H3,34,35)(H3,36,37)(H,38,46)(H,39,47)(H,40,44)(H,41,45)