1-[(3S)-3-(4-chlorophenyl)carbonylpiperidin-1-yl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[(3S)-3-(4-chlorophenyl)carbonylpiperidin-1-yl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[(3S)-3-(4-chlorobenzoyl)-1-piperidyl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[(3S)-3-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[(3S)-3-(4-chlorobenzoyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[(3S)-3-(4-chlorobenzoyl)piperidino]-2-quinazolin-4-yloxy-ethanone Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-17-9-7-15(8-10-17)21(28)16-4-3-11-26(12-16)20(27)13-29-22-18-5-1-2-6-19(18)24-14-25-22/h1-2,5-10,14,16H,3-4,11-13H2/t16-/m0/s1