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

Systemtic Name: N-[N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide Openeye Name: N-[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide CAS Name: N-[(cyanoamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]benzamide IUPAC Name: N-[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzamide Traditional Name: N-[N-cyano-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC(=O)C2=CC=CC=C2)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC(=O)C2=CC=CC=C2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H26N6O3/c22-15-23-21(25-19(29)16-8-2-1-3-9-16)24-17-10-4-5-13-27(20(17)30)14-18(28)26-11-6-7-12-26/h1-3,8-9,17H,4-7,10-14H2,(H2,23,24,25,29)