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

Systemtic Name: N1,N4-bis[5-[(4-azanyl-4-azanylidene-butyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(4-amino-4-imino-butyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(4-amino-4-iminobutyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(4-amino-4-iminobutyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(4-amino-4-imino-butyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C36H52N10O4 MolecularWeight: 688.86268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCC(=N)N)CCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCCC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCC(=N)N)CCC(C)C

InChI

InChI=1S/C36H52N10O4/c1-23(2)13-17-45-21-27(19-29(45)35(49)41-15-5-7-31(37)38)43-33(47)25-9-11-26(12-10-25)34(48)44-28-20-30(46(22-28)18-14-24(3)4)36(50)42-16-6-8-32(39)40/h9-12,19-24H,5-8,13-18H2,1-4H3,(H3,37,38)(H3,39,40)(H,41,49)(H,42,50)(H,43,47)(H,44,48)