3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[3-(3-pyridyl)propylamino]-1-piperidyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[3-(3-pyridinyl)propylamino]-1-piperidinyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[3-(3-pyridyl)propylamino]piperidino]phenyl]methanone Formula: C29H34N4O MolecularWeight: 454.60646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1NCCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H34N4O/c34-29(33-18-13-24-7-1-2-8-26(24)22-33)25-9-11-28(12-10-25)32-19-14-27(15-20-32)31-17-4-6-23-5-3-16-30-21-23/h1-3,5,7-12,16,21,27,31H,4,6,13-15,17-20,22H2