2-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 2-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzenecarbonitrile Openeye Name: 2-[2-[1-methyl-5-oxo-4-(1-piperidylmethyl)pyrrolidin-2-yl]ethynyl]benzonitrile CAS Name: 2-[2-[1-methyl-5-oxo-4-(1-piperidinylmethyl)-2-pyrrolidinyl]ethynyl]benzonitrile IUPAC Name: 2-[2-[1-methyl-5-oxo-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]benzonitrile Traditional Name: 2-[2-[5-keto-1-methyl-4-(piperidinomethyl)pyrrolidin-2-yl]ethynyl]benzonitrile Formula: C20H23N3O MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)CN2CCCCC2)C#CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C(CC(C1=O)CN2CCCCC2)C#CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N3O/c1-22-19(10-9-16-7-3-4-8-17(16)14-21)13-18(20(22)24)15-23-11-5-2-6-12-23/h3-4,7-8,18-19H,2,5-6,11-13,15H2,1H3