1-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

Systemtic Name: 1-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile Openeye Name: 1-[4-[3-(1-piperidyl)propoxy]benzoyl]-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile CAS Name: 1-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile IUPAC Name: 1-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile Traditional Name: 1-[4-(3-piperidinopropoxy)benzoyl]-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3C4=C(CCN3)C=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3C4=C(CCN3)C=CC(=C4)C#N

InChI

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