(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[6-bromo-2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [6-bromo-2-(3-pyridinyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(6-bromo-2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperidino)-[6-bromo-2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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