6,6-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-[3-(4-methyl-1-piperazinyl)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-[3-(4-methylpiperazino)propylamino]-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)NCCCN3CCN(CC3)C)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)NCCCN3CCN(CC3)C)C4=CC=NN4)C

InChI

InChI=1S/C21H31N5OS/c1-21(2)13-15-18(17(27)14-21)20(28-19(15)16-5-7-23-24-16)22-6-4-8-26-11-9-25(3)10-12-26/h5,7,22H,4,6,8-14H2,1-3H3,(H,23,24)