4-[(4-chlorophenyl)amino]-7,7-dimethyl-2-(4-methylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one

Systemtic Name: 4-[(4-chlorophenyl)amino]-7,7-dimethyl-2-(4-methylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Openeye Name: 4-(4-chloroanilino)-7,7-dimethyl-2-(4-methylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one CAS Name: 4-(4-chloroanilino)-7,7-dimethyl-2-(4-methyl-1-piperazinyl)-6,8-dihydroquinazolin-5-one IUPAC Name: 4-(4-chloroanilino)-7,7-dimethyl-2-(4-methylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Traditional Name: 4-(4-chloroanilino)-7,7-dimethyl-2-(4-methylpiperazino)-6,8-dihydroquinazolin-5-one Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C)NC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C)NC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H26ClN5O/c1-21(2)12-16-18(17(28)13-21)19(23-15-6-4-14(22)5-7-15)25-20(24-16)27-10-8-26(3)9-11-27/h4-7H,8-13H2,1-3H3,(H,23,24,25)