1-cyano-3-(diphenylmethyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(diphenylmethyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-benzhydryl-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(diphenylmethyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-benzhydryl-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-benzhydryl-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C27H32N6O2/c28-20-29-27(31-25(21-11-3-1-4-12-21)22-13-5-2-6-14-22)30-23-15-7-8-18-33(26(23)35)19-24(34)32-16-9-10-17-32/h1-6,11-14,23,25H,7-10,15-19H2,(H2,29,30,31)