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

Systemtic Name: 2-(4-chlorophenyl)-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-(4-chlorophenyl)-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-10-propyl-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C21H19ClN2OS MolecularWeight: 382.90636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC2=C(C=C1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2OS/c1-2-3-14-4-9-19-18(12-14)21-15(10-11-26-19)13-20(25)24(23-21)17-7-5-16(22)6-8-17/h4-9,12-13H,2-3,10-11H2,1H3