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

Systemtic Name: 1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-benzyl-1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=NCC2=CC=CC=C2)NC#N)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=NCC2=CC=CC=C2)NC#N)CC(=O)N3CCCC3

InChI

InChI=1S/C21H28N6O2/c22-16-24-21(23-14-17-8-2-1-3-9-17)25-18-10-4-5-13-27(20(18)29)15-19(28)26-11-6-7-12-26/h1-3,8-9,18H,4-7,10-15H2,(H2,23,24,25)