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

Systemtic Name: [1-[[3-cyano-1-(2-methoxyethylcarbamoyl)azepan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[[3-cyano-1-(2-methoxyethylcarbamoyl)azepan-3-yl]carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[3-cyano-1-[(2-methoxyethylamino)-oxomethyl]-3-azepanyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[[3-cyano-1-(2-methoxyethylcarbamoyl)azepan-3-yl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[[3-cyano-1-(2-methoxyethylcarbamoyl)azepan-3-yl]carbamoyl]-3-methyl-butyl] ester Formula: C25H37N5O5 MolecularWeight: 487.59178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCCN(C1)C(=O)NCCOC)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCCN(C1)C(=O)NCCOC)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C25H37N5O5/c1-19(2)15-21(35-24(33)28-16-20-9-5-4-6-10-20)22(31)29-25(17-26)11-7-8-13-30(18-25)23(32)27-12-14-34-3/h4-6,9-10,19,21H,7-8,11-16,18H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)