[4-[4-[(5-bromanylquinolin-8-yl)-(phenylmethyl)amino]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

Systemtic Name: [4-[4-[(5-bromanylquinolin-8-yl)-(phenylmethyl)amino]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Openeye Name: [4-[4-[benzyl-(5-bromo-8-quinolyl)amino]-1-piperidyl]-4-methyl-1-piperidyl]-(4,6-dimethylpyrimidin-5-yl)methanone CAS Name: [4-[4-[(5-bromo-8-quinolinyl)-(phenylmethyl)amino]-1-piperidinyl]-4-methyl-1-piperidinyl]-(4,6-dimethyl-5-pyrimidinyl)methanone IUPAC Name: [4-[4-[benzyl-(5-bromoquinolin-8-yl)amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Traditional Name: [4-[4-[benzyl-(5-bromo-8-quinolyl)amino]piperidino]-4-methyl-piperidino]-(4,6-dimethylpyrimidin-5-yl)methanone Formula: C34H39BrN6O MolecularWeight: 627.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=C6C(=C(C=C5)Br)C=CC=N6

Isomeric SMILES

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=C6C(=C(C=C5)Br)C=CC=N6

InChI

InChI=1S/C34H39BrN6O/c1-24-31(25(2)38-23-37-24)33(42)39-20-15-34(3,16-21-39)40-18-13-27(14-19-40)41(22-26-8-5-4-6-9-26)30-12-11-29(35)28-10-7-17-36-32(28)30/h4-12,17,23,27H,13-16,18-22H2,1-3H3