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

Systemtic Name: 5-hexanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-hexanoyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(1-oxohexyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-hexanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-caproyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-2-3-4-14-21(27)25-18-11-6-5-9-16(18)24-17-10-7-12-19(26)22(17)23(25)20-13-8-15-28-20/h5-6,8-9,11,13,15,23-24H,2-4,7,10,12,14H2,1H3