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

Systemtic Name: N1,N1-bis[5-[(4-azanyl-4-azanylidene-butyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methyl-benzene-1,4-dicarboxamide Openeye Name: N1,N1-bis[5-[(4-amino-4-imino-butyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]-2-methyl-terephthalamide CAS Name: N1,N1-bis[5-[[(4-amino-4-iminobutyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]-2-methylbenzene-1,4-dicarboxamide IUPAC Name: 1-N,1-N-bis[5-[(4-amino-4-iminobutyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-methylbenzene-1,4-dicarboxamide Traditional Name: N,N-bis[5-[(4-amino-4-imino-butyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]-2-methyl-terephthalamide Formula: C37H54N10O4 MolecularWeight: 702.88926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C(=O)N(C2=CN(C(=C2)C(=O)NCCCC(=N)N)CCC(C)C)C3=CN(C(=C3)C(=O)NCCCC(=N)N)CCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C(=O)N(C2=CN(C(=C2)C(=O)NCCCC(=N)N)CCC(C)C)C3=CN(C(=C3)C(=O)NCCCC(=N)N)CCC(C)C

InChI

InChI=1S/C37H54N10O4/c1-23(2)12-16-45-21-27(19-30(45)35(49)43-14-6-8-32(38)39)47(37(51)29-11-10-26(34(42)48)18-25(29)5)28-20-31(46(22-28)17-13-24(3)4)36(50)44-15-7-9-33(40)41/h10-11,18-24H,6-9,12-17H2,1-5H3,(H3,38,39)(H3,40,41)(H2,42,48)(H,43,49)(H,44,50)