N2,N6-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]naphthalene-2,6-dicarboxamide

Systemtic Name: N2,N6-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]naphthalene-2,6-dicarboxamide Openeye Name: N2,N6-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]naphthalene-2,6-dicarboxamide CAS Name: N2,N6-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]naphthalene-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]naphthalene-2,6-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]naphthalene-2,6-dicarboxamide Formula: C38H50N10O4 MolecularWeight: 710.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CCC(C)C

InChI

InChI=1S/C38H50N10O4/c1-23(2)11-15-47-21-29(19-31(47)37(51)43-13-9-33(39)40)45-35(49)27-7-5-26-18-28(8-6-25(26)17-27)36(50)46-30-20-32(38(52)44-14-10-34(41)42)48(22-30)16-12-24(3)4/h5-8,17-24H,9-16H2,1-4H3,(H3,39,40)(H3,41,42)(H,43,51)(H,44,52)(H,45,49)(H,46,50)