2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,3-dihydroisoindole-5-carbonitrile hydrochloride

Systemtic Name: 2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,3-dihydroisoindole-5-carbonitrile hydrochloride Openeye Name: 2-[4-[3-(1-piperidyl)propoxy]benzoyl]isoindoline-5-carbonitrile hydrochloride CAS Name: 2-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,3-dihydroisoindole-5-carbonitrile hydrochloride IUPAC Name: 2-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,3-dihydroisoindole-5-carbonitrile hydrochloride Traditional Name: 2-[4-(3-piperidinopropoxy)benzoyl]isoindoline-5-carbonitrile hydrochloride Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)C#N.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)C#N.Cl

InChI

InChI=1S/C24H27N3O2.ClH/c25-16-19-5-6-21-17-27(18-22(21)15-19)24(28)20-7-9-23(10-8-20)29-14-4-13-26-11-2-1-3-12-26;/h5-10,15H,1-4,11-14,17-18H2;1H