3-[4-(4-methylphenyl)piperidin-1-yl]-4-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butanal

Systemtic Name: 3-[4-(4-methylphenyl)piperidin-1-yl]-4-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butanal Openeye Name: 4-oxo-3-[4-(p-tolyl)-1-piperidyl]-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butanal CAS Name: 3-[4-(4-methylphenyl)-1-piperidinyl]-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butanal IUPAC Name: 3-[4-(4-methylphenyl)piperidin-1-yl]-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butanal Traditional Name: 4-keto-3-[4-(p-tolyl)piperidino]-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)butyraldehyde Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNC4)C=C3

InChI

InChI=1S/C25H30N2O2/c1-18-2-4-19(5-3-18)21-9-13-27(14-10-21)24(11-15-28)25(29)22-7-6-20-8-12-26-17-23(20)16-22/h2-7,15-16,21,24,26H,8-14,17H2,1H3