2-(4-chlorophenyl)-10-propanoyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-10-propanoyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-10-propanoyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-10-(1-oxopropyl)-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-(4-chlorophenyl)-10-propanoyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-10-propionyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-2-18(25)13-3-8-19-17(11-13)21-14(9-10-27-19)12-20(26)24(23-21)16-6-4-15(22)5-7-16/h3-8,11-12H,2,9-10H2,1H3