[(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydroisoxazol-4-yl]-(1-piperidyl)methanone CAS Name: [(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydroisoxazol-4-yl]-(1-piperidinyl)methanone IUPAC Name: [(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [(4S,5S)-3-(4-chlorophenyl)-5-phenyl-2-isoxazolin-4-yl]-piperidino-methanone Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2C(ON=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2[C@H](ON=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O2/c22-17-11-9-15(10-12-17)19-18(21(25)24-13-5-2-6-14-24)20(26-23-19)16-7-3-1-4-8-16/h1,3-4,7-12,18,20H,2,5-6,13-14H2/t18-,20+/m0/s1