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

Systemtic Name: [1-[[3-cyano-1-(2-phenylethanoyl)azepan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[[3-cyano-1-(2-phenylacetyl)azepan-3-yl]carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[3-cyano-1-(1-oxo-2-phenylethyl)-3-azepanyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[[3-cyano-1-(2-phenylacetyl)azepan-3-yl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[[3-cyano-1-(2-phenylacetyl)azepan-3-yl]carbamoyl]-3-methyl-butyl] ester Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4/c1-22(2)17-25(37-28(36)31-19-24-13-7-4-8-14-24)27(35)32-29(20-30)15-9-10-16-33(21-29)26(34)18-23-11-5-3-6-12-23/h3-8,11-14,22,25H,9-10,15-19,21H2,1-2H3,(H,31,36)(H,32,35)