3-[(3-aminophenyl)methyl]-7-chloranyl-5-(4-methylpiperazin-1-yl)-1-(phenylmethyl)quinazoline-2,4-dione

Systemtic Name: 3-[(3-aminophenyl)methyl]-7-chloranyl-5-(4-methylpiperazin-1-yl)-1-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 3-[(3-aminophenyl)methyl]-1-benzyl-7-chloro-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione CAS Name: 3-[(3-aminophenyl)methyl]-7-chloro-5-(4-methyl-1-piperazinyl)-1-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 3-[(3-aminophenyl)methyl]-1-benzyl-7-chloro-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione Traditional Name: 3-(3-aminobenzyl)-1-benzyl-7-chloro-5-(4-methylpiperazino)quinazoline-2,4-quinone Formula: C27H28ClN5O2 MolecularWeight: 489.99652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(C3=O)CC4=CC(=CC=C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(C3=O)CC4=CC(=CC=C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN5O2/c1-30-10-12-31(13-11-30)23-15-21(28)16-24-25(23)26(34)33(18-20-8-5-9-22(29)14-20)27(35)32(24)17-19-6-3-2-4-7-19/h2-9,14-16H,10-13,17-18,29H2,1H3