(6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: (6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl) ester IUPAC Name: (6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid (6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl) ester Formula: C37H34ClN3O4 MolecularWeight: 620.13656

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)OC(=O)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)OC(=O)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H34ClN3O4/c1-27-34(42)41(32-25-31(38)17-18-33(32)44-27)45-35(43)36(28-11-5-2-6-12-28)19-22-40(23-20-36)24-21-37(26-39,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,25,27H,19-24H2,1H3