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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC(C1=O)(C#N)NC(=O)C(CC(C)C)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCN1CCCCC(C1=O)(C#N)NC(=O)C(CC(C)C)OC(=O)NCC2=CC=CC=C2

InChI

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