tert-butyl 4-[[4-(azetidin-1-yl)-2-propyl-quinolin-6-yl]carbamoyl]-3-(4-chlorophenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(azetidin-1-yl)-2-propyl-quinolin-6-yl]carbamoyl]-3-(4-chlorophenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(azetidin-1-yl)-2-propyl-6-quinolyl]carbamoyl]-3-(4-chlorophenyl)piperidine-1-carboxylate CAS Name: 4-[[[4-(1-azetidinyl)-2-propyl-6-quinolinyl]amino]-oxomethyl]-3-(4-chlorophenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(azetidin-1-yl)-2-propylquinolin-6-yl]carbamoyl]-3-(4-chlorophenyl)piperidine-1-carboxylate Traditional Name: 4-[[4-(azetidin-1-yl)-2-propyl-6-quinolyl]carbamoyl]-3-(4-chlorophenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C32H39ClN4O3 MolecularWeight: 563.13006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C)C(=C1)N5CCC5

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C)C(=C1)N5CCC5

InChI

InChI=1S/C32H39ClN4O3/c1-5-7-23-19-29(36-15-6-16-36)26-18-24(12-13-28(26)34-23)35-30(38)25-14-17-37(31(39)40-32(2,3)4)20-27(25)21-8-10-22(33)11-9-21/h8-13,18-19,25,27H,5-7,14-17,20H2,1-4H3,(H,35,38)