[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl] N-(phenylmethyl)carbamate

Systemtic Name: [1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl] N-(phenylmethyl)carbamate Openeye Name: [1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [1-[[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-oxomethyl]cyclohexyl] ester IUPAC Name: [1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl] ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)OC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)OC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c28-20-26(16-17-31(21-26)19-23-12-6-2-7-13-23)30-24(32)27(14-8-3-9-15-27)34-25(33)29-18-22-10-4-1-5-11-22/h1-2,4-7,10-13H,3,8-9,14-19,21H2,(H,29,33)(H,30,32)