7,8-dimethoxy-3-methyl-1-(4-thiophen-2-ylphenyl)-5H-2,3-benzodiazepin-4-one

Systemtic Name: 7,8-dimethoxy-3-methyl-1-(4-thiophen-2-ylphenyl)-5H-2,3-benzodiazepin-4-one Openeye Name: 7,8-dimethoxy-3-methyl-1-[4-(2-thienyl)phenyl]-5H-2,3-benzodiazepin-4-one CAS Name: 7,8-dimethoxy-3-methyl-1-(4-thiophen-2-ylphenyl)-5H-2,3-benzodiazepin-4-one IUPAC Name: 7,8-dimethoxy-3-methyl-1-(4-thiophen-2-ylphenyl)-5H-2,3-benzodiazepin-4-one Traditional Name: 7,8-dimethoxy-3-methyl-1-[4-(2-thienyl)phenyl]-5H-2,3-benzodiazepin-4-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C4=CC=CS4)OC)OC

Isomeric SMILES

CN1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C4=CC=CS4)OC)OC

InChI

InChI=1S/C22H20N2O3S/c1-24-21(25)12-16-11-18(26-2)19(27-3)13-17(16)22(23-24)15-8-6-14(7-9-15)20-5-4-10-28-20/h4-11,13H,12H2,1-3H3