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

Systemtic Name: N1,N4-bis[5-[(2-azanyl-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(2-amino-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(2-amino-2-methyliminoethyl)amino]-oxomethyl]-1-butyl-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(2-amino-2-methyliminoethyl)carbamoyl]-1-butylpyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(2-amino-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]terephthalamide Formula: C32H44N10O4 MolecularWeight: 632.75636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N10O4/c1-5-7-13-41-19-23(15-25(41)31(45)37-17-27(33)35-3)39-29(43)21-9-11-22(12-10-21)30(44)40-24-16-26(42(20-24)14-8-6-2)32(46)38-18-28(34)36-4/h9-12,15-16,19-20H,5-8,13-14,17-18H2,1-4H3,(H2,33,35)(H2,34,36)(H,37,45)(H,38,46)(H,39,43)(H,40,44)