5-ethanoyl-9-(4-methoxyphenyl)-3-methyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-9-(4-methoxyphenyl)-3-methyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(4-methoxyphenyl)-3-methyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-methoxyphenyl)-3-methyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-methoxyphenyl)-3-methyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(4-methoxyphenyl)-3-methyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(C(N2C(=O)C)C4=CC=CS4)C(=O)CC(C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(C(N2C(=O)C)C4=CC=CS4)C(=O)CC(C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H26N2O3S/c1-16-6-11-21-23(13-16)29(17(2)30)27(25-5-4-12-33-25)26-22(28-21)14-19(15-24(26)31)18-7-9-20(32-3)10-8-18/h4-13,19,27-28H,14-15H2,1-3H3