5-[3-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carbonitrile hydrochloride

Systemtic Name: 5-[3-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carbonitrile hydrochloride Openeye Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carbonitrile hydrochloride CAS Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]phenyl]-3-pyridinecarbonitrile hydrochloride IUPAC Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]pyridine-3-carbonitrile hydrochloride Traditional Name: 5-[3-chloro-4-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]phenyl]nicotinonitrile hydrochloride Formula: C23H25Cl2N3O MolecularWeight: 430.3701

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CN=CC(=C4)C#N)Cl.Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CN=CC(=C4)C#N)Cl.Cl

InChI

InChI=1S/C23H24ClN3O.ClH/c24-22-12-17(20-10-16(13-25)14-26-15-20)6-7-18(22)11-19-8-9-27(23(19)28)21-4-2-1-3-5-21;/h6-7,10,12,14-15,19,21H,1-5,8-9,11H2;1H