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

Systemtic Name: [1-[[4-cyano-2-oxidanylidene-1-(phenylmethyl)azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[(1-benzyl-4-cyano-2-oxo-azepan-4-yl)carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[4-cyano-2-oxo-1-(phenylmethyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-benzyl-4-cyano-2-oxoazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[(1-benzyl-4-cyano-2-keto-azepan-4-yl)carbamoyl]-3-methyl-butyl] ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCN(C(=O)C1)CC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCN(C(=O)C1)CC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H34N4O4/c1-21(2)16-24(36-27(35)30-18-22-10-5-3-6-11-22)26(34)31-28(20-29)14-9-15-32(25(33)17-28)19-23-12-7-4-8-13-23/h3-8,10-13,21,24H,9,14-19H2,1-2H3,(H,30,35)(H,31,34)