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

Systemtic Name: [1-[[4-cyano-1-(phenylmethyl)azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[(1-benzyl-4-cyano-azepan-4-yl)carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[4-cyano-1-(phenylmethyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-benzyl-4-cyanoazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[(1-benzyl-4-cyano-azepan-4-yl)carbamoyl]-3-methyl-butyl] ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCN(CC1)CC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCN(CC1)CC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H36N4O3/c1-22(2)18-25(35-27(34)30-19-23-10-5-3-6-11-23)26(33)31-28(21-29)14-9-16-32(17-15-28)20-24-12-7-4-8-13-24/h3-8,10-13,22,25H,9,14-20H2,1-2H3,(H,30,34)(H,31,33)