(6R,6aR,9R)-5-cyclopropylcarbonyl-9-(4-methylphenyl)-6-(4-propan-2-yloxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR,9R)-5-cyclopropylcarbonyl-9-(4-methylphenyl)-6-(4-propan-2-yloxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR,9R)-5-(cyclopropanecarbonyl)-6-(4-isopropoxyphenyl)-9-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR,9R)-5-[cyclopropyl(oxo)methyl]-9-(4-methylphenyl)-6-(4-propan-2-yloxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR,9R)-5-(cyclopropanecarbonyl)-9-(4-methylphenyl)-6-(4-propan-2-yloxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR,9R)-5-(cyclopropanecarbonyl)-6-(4-isopropoxyphenyl)-9-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C33H34N2O3 MolecularWeight: 506.63466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C3C(N(C4=CC=CC=C4NC3=C2)C(=O)C5CC5)C6=CC=C(C=C6)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=O)[C@@H]3[C@@H](N(C4=CC=CC=C4NC3=C2)C(=O)C5CC5)C6=CC=C(C=C6)OC(C)C

InChI

InChI=1S/C33H34N2O3/c1-20(2)38-26-16-14-23(15-17-26)32-31-28(18-25(19-30(31)36)22-10-8-21(3)9-11-22)34-27-6-4-5-7-29(27)35(32)33(37)24-12-13-24/h4-11,14-18,20,24-25,31-32,34H,12-13,19H2,1-3H3/t25-,31+,32-/m0/s1