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

Systemtic Name: 1-[(3-aminophenyl)methyl]-7-chloranyl-3-(4-methoxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)quinoline-2,4-dione Openeye Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-methoxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)quinoline-2,4-dione CAS Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-methoxyphenyl)-3-methyl-5-(4-methyl-1-piperazinyl)quinoline-2,4-dione IUPAC Name: 1-[(3-aminophenyl)methyl]-7-chloro-3-(4-methoxyphenyl)-3-methyl-5-(4-methylpiperazin-1-yl)quinoline-2,4-dione Traditional Name: 1-(3-aminobenzyl)-7-chloro-3-(4-methoxyphenyl)-3-methyl-5-(4-methylpiperazino)quinoline-2,4-quinone Formula: C29H31ClN4O3 MolecularWeight: 519.03444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC(=CC=C3)N)Cl)N4CCN(CC4)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2N(C1=O)CC3=CC(=CC=C3)N)Cl)N4CCN(CC4)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31ClN4O3/c1-29(20-7-9-23(37-3)10-8-20)27(35)26-24(33-13-11-32(2)12-14-33)16-21(30)17-25(26)34(28(29)36)18-19-5-4-6-22(31)15-19/h4-10,15-17H,11-14,18,31H2,1-3H3