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

Systemtic Name: 5-pentanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-pentanoyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(1-oxopentyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-pentanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(2-thienyl)-5-valeryl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-2-3-13-20(26)24-17-10-5-4-8-15(17)23-16-9-6-11-18(25)21(16)22(24)19-12-7-14-27-19/h4-5,7-8,10,12,14,22-23H,2-3,6,9,11,13H2,1H3