2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride

Systemtic Name: 2-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride Openeye Name: 2-[4-[3-(1-piperidyl)propoxy]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride CAS Name: 2-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride IUPAC Name: 2-[4-(3-piperidin-1-ylpropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride Traditional Name: 2-[4-(3-piperidinopropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile hydrochloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C#N.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C#N.Cl

InChI

InChI=1S/C25H29N3O2.ClH/c26-18-20-5-6-21-11-15-28(19-23(21)17-20)25(29)22-7-9-24(10-8-22)30-16-4-14-27-12-2-1-3-13-27;/h5-10,17H,1-4,11-16,19H2;1H