3,9,9-trimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3,9,9-trimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 3,9,9-trimethyl-6-(2-thienyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 3,9,9-trimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3,9,9-trimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 3,9,9-trimethyl-6-(2-thienyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=CC(CC(=O)C3C(N2)C4=CC=CS4)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=CC(CC(=O)C3C(N2)C4=CC=CS4)(C)C

InChI

InChI=1S/C20H22N2OS/c1-12-6-7-13-14(9-12)22-19(17-5-4-8-24-17)18-15(21-13)10-20(2,3)11-16(18)23/h4-10,18-19,21-22H,11H2,1-3H3