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

Systemtic Name: 3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-1-(4-phenylbutan-2-yl)-1-(phenylmethyl)guanidine Openeye Name: 1-benzyl-3-cyano-1-(1-methyl-3-phenyl-propyl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-1-(4-phenylbutan-2-yl)-1-(phenylmethyl)guanidine IUPAC Name: 1-benzyl-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-1-(4-phenylbutan-2-yl)guanidine Traditional Name: 1-benzyl-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(1-methyl-3-phenyl-propyl)guanidine Formula: C31H40N6O2 MolecularWeight: 528.6883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC(CCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C31H40N6O2/c1-25(17-18-26-12-4-2-5-13-26)37(22-27-14-6-3-7-15-27)31(33-24-32)34-28-16-8-9-21-36(30(28)39)23-29(38)35-19-10-11-20-35/h2-7,12-15,25,28H,8-11,16-23H2,1H3,(H,33,34)