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

Systemtic Name: 1-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(4-phenylmethoxyphenyl)guanidine Openeye Name: 1-(4-benzyloxyphenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(4-phenylmethoxyphenyl)guanidine IUPAC Name: 1-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-(4-phenylmethoxyphenyl)guanidine Traditional Name: 1-(4-benzoxyphenyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C27H32N6O3/c28-20-29-27(30-22-11-13-23(14-12-22)36-19-21-8-2-1-3-9-21)31-24-10-4-5-17-33(26(24)35)18-25(34)32-15-6-7-16-32/h1-3,8-9,11-14,24H,4-7,10,15-19H2,(H2,29,30,31)