2-[[4-[3,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile

Systemtic Name: 2-[[4-[3,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile Openeye Name: 2-[[4-(4-benzyl-3,5-dimethyl-piperazine-1-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-yl-propanenitrile CAS Name: 2-[[4-[[3,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-oxomethyl]cyclohexyl]amino]-3-oxo-3-(2-pyrrolidinyl)propanenitrile IUPAC Name: 2-[[4-(4-benzyl-3,5-dimethylpiperazine-1-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-ylpropanenitrile Traditional Name: 2-[[4-(4-benzyl-3,5-dimethyl-piperazine-1-carbonyl)cyclohexyl]amino]-3-keto-3-pyrrolidin-2-yl-propionitrile Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CC2=CC=CC=C2)C)C(=O)C3CCC(CC3)NC(C#N)C(=O)C4CCCN4

Isomeric SMILES

CC1CN(CC(N1CC2=CC=CC=C2)C)C(=O)C3CCC(CC3)NC(C#N)C(=O)C4CCCN4

InChI

InChI=1S/C27H39N5O2/c1-19-16-31(17-20(2)32(19)18-21-7-4-3-5-8-21)27(34)22-10-12-23(13-11-22)30-25(15-28)26(33)24-9-6-14-29-24/h3-5,7-8,19-20,22-25,29-30H,6,9-14,16-18H2,1-2H3