2-[4-(phenylmethyl)piperazin-1-yl]-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 6-(benzenesulfonyl)-2-(4-benzylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 6-(benzenesulfonyl)-2-[4-(phenylmethyl)-1-piperazinyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 6-(benzenesulfonyl)-2-(4-benzylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-(4-benzylpiperazino)-6-besyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1S(=O)(=O)C3=CC=CC=C3)C(=O)N=C(N2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(CC1S(=O)(=O)C3=CC=CC=C3)C(=O)N=C(N2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3S/c30-24-22-17-21(33(31,32)20-9-5-2-6-10-20)11-12-23(22)26-25(27-24)29-15-13-28(14-16-29)18-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,26,27,30)