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

Systemtic Name: 5-(3-methylbutanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(3-methylbutanoyl)-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(3-methyl-1-oxobutyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(3-methylbutanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-isovaleryl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

Isomeric SMILES

CC(C)CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

InChI

InChI=1S/C22H24N2O2S/c1-14(2)13-20(26)24-17-9-4-3-7-15(17)23-16-8-5-10-18(25)21(16)22(24)19-11-6-12-27-19/h3-4,6-7,9,11-12,14,22-23H,5,8,10,13H2,1-2H3