4-[4-(3-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 4-[4-(3-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-[3-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-[3-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(3-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 4-[4-(3-piperidinosulfonylphenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3CCN(CC3)C4=NC=NC5=C4C=C(C=C5)C6=CNN=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3CCN(CC3)C4=NC=NC5=C4C=C(C=C5)C6=CNN=C6

InChI

InChI=1S/C26H29N7O2S/c34-36(35,33-9-2-1-3-10-33)23-6-4-5-22(16-23)31-11-13-32(14-12-31)26-24-15-20(21-17-29-30-18-21)7-8-25(24)27-19-28-26/h4-8,15-19H,1-3,9-14H2,(H,29,30)