(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[6-bromo-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: (6-bromo-2-pyridin-4-yl-4-quinolinyl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(6-bromo-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperidino)-[6-bromo-2-(4-pyridyl)-4-quinolyl]methanone Formula: C27H24BrN3O MolecularWeight: 486.40296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C27H24BrN3O/c28-22-6-7-25-23(17-22)24(18-26(30-25)21-8-12-29-13-9-21)27(32)31-14-10-20(11-15-31)16-19-4-2-1-3-5-19/h1-9,12-13,17-18,20H,10-11,14-16H2