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

Systemtic Name: 7-chloranyl-3-[(2-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)-1-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 1-benzyl-7-chloro-5-(4-methylpiperazin-1-yl)-3-(o-tolylmethyl)quinazoline-2,4-dione CAS Name: 7-chloro-3-[(2-methylphenyl)methyl]-5-(4-methyl-1-piperazinyl)-1-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 1-benzyl-7-chloro-3-[(2-methylphenyl)methyl]-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione Traditional Name: 1-benzyl-7-chloro-3-(2-methylbenzyl)-5-(4-methylpiperazino)quinazoline-2,4-quinone Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCN(CC5)C

InChI

InChI=1S/C28H29ClN4O2/c1-20-8-6-7-11-22(20)19-33-27(34)26-24(31-14-12-30(2)13-15-31)16-23(29)17-25(26)32(28(33)35)18-21-9-4-3-5-10-21/h3-11,16-17H,12-15,18-19H2,1-2H3