4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-phenyl-quinazoline

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-phenyl-quinazoline Openeye Name: 4-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-phenyl-quinazoline CAS Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-phenylquinazoline IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-phenylquinazoline Traditional Name: 4-(4-indan-5-ylsulfonylpiperazino)-2-phenyl-quinazoline Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H26N4O2S/c32-34(33,23-14-13-20-9-6-10-22(20)19-23)31-17-15-30(16-18-31)27-24-11-4-5-12-25(24)28-26(29-27)21-7-2-1-3-8-21/h1-5,7-8,11-14,19H,6,9-10,15-18H2