[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-[6-methyl-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-[6-methyl-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-[6-methyl-2-(2-pyridyl)-4-quinolyl]methanone Formula: C27H25BrN4O MolecularWeight: 501.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC(=CC=C4)Br)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC(=CC=C4)Br)C5=CC=CC=N5

InChI

InChI=1S/C27H25BrN4O/c1-19-8-9-24-22(15-19)23(17-26(30-24)25-7-2-3-10-29-25)27(33)32-13-11-31(12-14-32)18-20-5-4-6-21(28)16-20/h2-10,15-17H,11-14,18H2,1H3