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

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-propyl-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-propylpyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]terephthalamide Formula: C30H40N10O4 MolecularWeight: 604.7032

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC

InChI

InChI=1S/C30H40N10O4/c1-3-13-39-17-21(15-23(39)29(43)35-11-9-25(31)32)37-27(41)19-5-7-20(8-6-19)28(42)38-22-16-24(40(18-22)14-4-2)30(44)36-12-10-26(33)34/h5-8,15-18H,3-4,9-14H2,1-2H3,(H3,31,32)(H3,33,34)(H,35,43)(H,36,44)(H,37,41)(H,38,42)