6,7-dimethoxy-3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione CAS Name: 6,7-dimethoxy-3-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[4-(4-benzylpiperazine-1-carbonyl)benzyl]-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H30N4O5/c1-37-25-16-23-24(17-26(25)38-2)30-29(36)33(28(23)35)19-21-8-10-22(11-9-21)27(34)32-14-12-31(13-15-32)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,36)