1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Traditional Name: 1-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]-3-veratryl-urea Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C

InChI

InChI=1S/C25H31N5O3/c1-17-13-24(30-11-9-29(2)10-12-30)28-21-7-6-19(15-20(17)21)27-25(31)26-16-18-5-8-22(32-3)23(14-18)33-4/h5-8,13-15H,9-12,16H2,1-4H3,(H2,26,27,31)