ethyl 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]quinolin-2-yl]methylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]quinolin-2-yl]methylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-quinolyl]methylamino]piperidine-1-carboxylate CAS Name: 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methyl-4-imidazolyl)methyl]-2-quinolinyl]methylamino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]methylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-quinolyl]methylamino]piperidine-1-carboxylic acid ethyl ester Formula: C35H35Cl2N5O3 MolecularWeight: 644.5901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=NC3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CN=CN5C)O)C(=C2)C6=CC(=CC=C6)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=NC3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CN=CN5C)O)C(=C2)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C35H35Cl2N5O3/c1-3-45-34(43)42-15-13-28(14-16-42)39-20-29-19-30(23-5-4-6-27(37)17-23)31-18-25(9-12-32(31)40-29)35(44,33-21-38-22-41(33)2)24-7-10-26(36)11-8-24/h4-12,17-19,21-22,28,39,44H,3,13-16,20H2,1-2H3