4-[(4-chlorophenyl)amino]-2-[4-(phenylmethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-[4-(phenylmethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 4-(4-chloroanilino)-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-(4-benzylpiperazino)-4-(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one Formula: C25H26ClN5O MolecularWeight: 447.95984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN5O/c26-19-9-11-20(12-10-19)27-24-23-21(7-4-8-22(23)32)28-25(29-24)31-15-13-30(14-16-31)17-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,27,28,29)