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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridylmethylamino)-1-piperidyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridinylmethylamino)-1-piperidinyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(3-pyridylmethylamino)piperidino]phenyl]methanone Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H30N4O/c32-27(31-15-11-22-5-1-2-6-24(22)20-31)23-7-9-26(10-8-23)30-16-12-25(13-17-30)29-19-21-4-3-14-28-18-21/h1-10,14,18,25,29H,11-13,15-17,19-20H2