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

Systemtic Name: [1-[[3-cyano-1-(phenylcarbamoyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[[3-cyano-1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[1-[anilino(oxo)methyl]-3-cyano-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[[3-cyano-1-(phenylcarbamoyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[[3-cyano-1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl] ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCN(C1)C(=O)NC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCN(C1)C(=O)NC2=CC=CC=C2)C#N)OC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H31N5O4/c1-19(2)15-22(35-25(34)28-16-20-9-5-3-6-10-20)23(32)30-26(17-27)13-14-31(18-26)24(33)29-21-11-7-4-8-12-21/h3-12,19,22H,13-16,18H2,1-2H3,(H,28,34)(H,29,33)(H,30,32)