4-[4-[(4-chlorophenyl)amino]-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-[(4-chlorophenyl)amino]-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(4-chloroanilino)-7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(4-chloroanilino)-7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(4-chloroanilino)-7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(4-chloroanilino)-5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl]piperazine-1-carbaldehyde Formula: C21H24ClN5O2 MolecularWeight: 413.90056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2/c1-21(2)11-16-18(17(29)12-21)19(23-15-5-3-14(22)4-6-15)25-20(24-16)27-9-7-26(13-28)8-10-27/h3-6,13H,7-12H2,1-2H3,(H,23,24,25)