2-[(4-chlorophenyl)methyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 2-[(4-chlorophenyl)methyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 2-[(4-chlorophenyl)methyl]-1-cyano-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-(4-chlorobenzyl)-1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN6O2/c22-17-8-6-16(7-9-17)13-24-21(25-15-23)26-18-5-1-2-12-28(20(18)30)14-19(29)27-10-3-4-11-27/h6-9,18H,1-5,10-14H2,(H2,24,25,26)