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

Systemtic Name: N1,N4-bis[5-[(2-azanyl-2-azanylidene-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(2-amino-2-imino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(2-amino-2-iminoethyl)amino]-oxomethyl]-1-butyl-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(2-amino-2-iminoethyl)carbamoyl]-1-butylpyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(2-amino-2-imino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]terephthalamide Formula: C30H40N10O4 MolecularWeight: 604.7032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1C(=O)NCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCC(=N)N)CCCC

Isomeric SMILES

CCCCN1C=C(C=C1C(=O)NCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCC(=N)N)CCCC

InChI

InChI=1S/C30H40N10O4/c1-3-5-11-39-17-21(13-23(39)29(43)35-15-25(31)32)37-27(41)19-7-9-20(10-8-19)28(42)38-22-14-24(30(44)36-16-26(33)34)40(18-22)12-6-4-2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3,(H3,31,32)(H3,33,34)(H,35,43)(H,36,44)(H,37,41)(H,38,42)