1-[7-(3-chlorophenyl)-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[7-(3-chlorophenyl)-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[7-(3-chlorophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[7-(3-chlorophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[7-(3-chlorophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-15-5-7-26(24-15)8-6-21(28)25-9-10-29-22-18(14-25)11-17(13-20(22)27)16-3-2-4-19(23)12-16/h2-5,7,11-13,27H,6,8-10,14H2,1H3