[1-[(3-cyano-1-ethyl-7-oxidanylidene-azepan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate

Systemtic Name: [1-[(3-cyano-1-ethyl-7-oxidanylidene-azepan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[(3-cyano-1-ethyl-7-oxo-azepan-3-yl)carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[(3-cyano-1-ethyl-7-oxo-3-azepanyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(3-cyano-1-ethyl-7-oxoazepan-3-yl)amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[(3-cyano-1-ethyl-7-keto-azepan-3-yl)carbamoyl]-3-methyl-butyl] ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CCCC1=O)(C#N)NC(=O)C(CC(C)C)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCN1CC(CCCC1=O)(C#N)NC(=O)C(CC(C)C)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C23H32N4O4/c1-4-27-16-23(15-24,12-8-11-20(27)28)26-21(29)19(13-17(2)3)31-22(30)25-14-18-9-6-5-7-10-18/h5-7,9-10,17,19H,4,8,11-14,16H2,1-3H3,(H,25,30)(H,26,29)