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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C3=C(C=C(C=C3N(C2=O)CC4=CC=CC=C4)Cl)N5CCN(CC5)C

InChI

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