ethyl 1-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]quinazolin-4-yl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-4-quinazolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]quinazolin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(4-bromophenyl)-4-hydroxy-piperidino]quinazolin-4-yl]nipecotic acid ethyl ester Formula: C27H31BrN4O3 MolecularWeight: 539.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=NC3=CC=CC=C32)N4CCC(CC4)(C5=CC=C(C=C5)Br)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC(=NC3=CC=CC=C32)N4CCC(CC4)(C5=CC=C(C=C5)Br)O

InChI

InChI=1S/C27H31BrN4O3/c1-2-35-25(33)19-6-5-15-32(18-19)24-22-7-3-4-8-23(22)29-26(30-24)31-16-13-27(34,14-17-31)20-9-11-21(28)12-10-20/h3-4,7-12,19,34H,2,5-6,13-18H2,1H3