N4-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzene-1,4-dicarboxamide

Systemtic Name: N4-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzene-1,4-dicarboxamide Openeye Name: N4-[N-(2-naphthyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]terephthalamide CAS Name: N4-[(2-naphthalenylamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-[N-naphthalen-2-yl-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzene-1,4-dicarboxamide Traditional Name: N'-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-naphthyl)amidino]terephthalamide Formula: C31H34N6O4 MolecularWeight: 554.63946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(=O)N)CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(=O)N)CC(=O)N5CCCC5

InChI

InChI=1S/C31H34N6O4/c32-28(39)22-10-12-23(13-11-22)29(40)35-31(33-25-15-14-21-7-1-2-8-24(21)19-25)34-26-9-3-4-18-37(30(26)41)20-27(38)36-16-5-6-17-36/h1-2,7-8,10-15,19,26H,3-6,9,16-18,20H2,(H2,32,39)(H2,33,34,35,40)