5-cyclopropylcarbonyl-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-cyclopropylcarbonyl-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(cyclopropanecarbonyl)-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 5-[cyclopropyl(oxo)methyl]-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(cyclopropanecarbonyl)-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-(cyclopropanecarbonyl)-6-(3-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4CC4)C5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4CC4)C5=CC(=CC=C5)OC)C

InChI

InChI=1S/C26H28N2O3/c1-26(2)14-20-23(22(29)15-26)24(17-7-6-8-18(13-17)31-3)28(25(30)16-11-12-16)21-10-5-4-9-19(21)27-20/h4-10,13-14,16,23-24,27H,11-12,15H2,1-3H3