2-[4-(3-chlorophenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-7,7-dimethyl-4-(methylamino)-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)C4=CC(=CC=C4)Cl)NC)C

Isomeric SMILES

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

InChI

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