1-[3-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide

Systemtic Name: 1-[3-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide Openeye Name: 1-[3-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-3-oxo-propyl]cyclohexanecarboxamide CAS Name: 1-[3-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-oxopropyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[3-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-3-oxopropyl]cyclohexane-1-carboxamide Traditional Name: 1-[3-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-3-keto-propyl]cyclohexanecarboxamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)C(=O)N

InChI

InChI=1S/C22H30N4O2/c23-16-22(13-14-26(17-22)15-18-7-3-1-4-8-18)25-19(27)9-12-21(20(24)28)10-5-2-6-11-21/h1,3-4,7-8H,2,5-6,9-15,17H2,(H2,24,28)(H,25,27)