N-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide

Systemtic Name: N-[N-naphthalen-2-yl-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide Openeye Name: N-[N-(2-naphthyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide CAS Name: N-[(2-naphthalenylamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-pyridinecarboxamide IUPAC Name: N-[N-naphthalen-2-yl-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-naphthyl)amidino]nicotinamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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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=CN=CC=C4)CC(=O)N5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O3/c36-26(34-15-5-6-16-34)20-35-17-4-3-11-25(28(35)38)32-29(33-27(37)23-10-7-14-30-19-23)31-24-13-12-21-8-1-2-9-22(21)18-24/h1-2,7-10,12-14,18-19,25H,3-6,11,15-17,20H2,(H2,31,32,33,37)