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

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-ethylimino-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-ethylimino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-ethyliminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-ethylimino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C38H56N10O4 MolecularWeight: 716.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(CCNC(=O)C1=CC(=CN1CCC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NCC)N)CCC(C)C)N

Isomeric SMILES

CCN=C(CCNC(=O)C1=CC(=CN1CCC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NCC)N)CCC(C)C)N

InChI

InChI=1S/C38H56N10O4/c1-7-41-33(39)13-17-43-37(51)31-21-29(23-47(31)19-15-25(3)4)45-35(49)27-9-11-28(12-10-27)36(50)46-30-22-32(48(24-30)20-16-26(5)6)38(52)44-18-14-34(40)42-8-2/h9-12,21-26H,7-8,13-20H2,1-6H3,(H2,39,41)(H2,40,42)(H,43,51)(H,44,52)(H,45,49)(H,46,50)