3-chloranyl-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3-chloranyl-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 3-chloro-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 3-chloro-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3-chloro-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 3-chloro-6-(4-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OC)C(=O)C1)C

InChI

InChI=1S/C22H23ClN2O2/c1-22(2)11-18-20(19(26)12-22)21(13-4-7-15(27-3)8-5-13)25-17-10-14(23)6-9-16(17)24-18/h4-10,21,24-25H,11-12H2,1-3H3