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

Systemtic Name: N-[N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]naphthalene-2-carboxamide Openeye Name: N-[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]naphthalene-2-carboxamide CAS Name: N-[(cyanoamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-2-naphthalenecarboxamide IUPAC Name: N-[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]naphthalene-2-carboxamide Traditional Name: N-[N-cyano-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]-2-naphthamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC(=O)C2=CC3=CC=CC=C3C=C2)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC(=O)C2=CC3=CC=CC=C3C=C2)CC(=O)N4CCCC4

InChI

InChI=1S/C25H28N6O3/c26-17-27-25(29-23(33)20-11-10-18-7-1-2-8-19(18)15-20)28-21-9-3-4-14-31(24(21)34)16-22(32)30-12-5-6-13-30/h1-2,7-8,10-11,15,21H,3-6,9,12-14,16H2,(H2,27,28,29,33)