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

Systemtic Name: phenyl N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidate Openeye Name: 1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-2-phenyl-isourea CAS Name: N-cyano-N'-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidate Traditional Name: 1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-2-phenyl-isourea Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)OC2=CC=CC=C2)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)OC2=CC=CC=C2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H25N5O3/c21-15-22-20(28-16-8-2-1-3-9-16)23-17-10-4-5-13-25(19(17)27)14-18(26)24-11-6-7-12-24/h1-3,8-9,17H,4-7,10-14H2,(H,22,23)