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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=C(C=C4)OC)C5=CC=CS5

Isomeric SMILES

CCC(=O)N1C(C2C(=NC3=CC=CC=C31)CC(CC2=O)C4=CC=C(C=C4)OC)C5=CC=CS5

InChI

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