7,7-dimethyl-4-phenylazanyl-2-[4-(phenylmethyl)piperazin-1-yl]-6,8-dihydroquinazolin-5-one

Systemtic Name: 7,7-dimethyl-4-phenylazanyl-2-[4-(phenylmethyl)piperazin-1-yl]-6,8-dihydroquinazolin-5-one Openeye Name: 4-anilino-2-(4-benzylpiperazin-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one CAS Name: 4-anilino-7,7-dimethyl-2-[4-(phenylmethyl)-1-piperazinyl]-6,8-dihydroquinazolin-5-one IUPAC Name: 4-anilino-2-(4-benzylpiperazin-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one Traditional Name: 4-anilino-2-(4-benzylpiperazino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5)C

InChI

InChI=1S/C27H31N5O/c1-27(2)17-22-24(23(33)18-27)25(28-21-11-7-4-8-12-21)30-26(29-22)32-15-13-31(14-16-32)19-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3,(H,28,29,30)