1-[2-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[2-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)urea Openeye Name: 1-[2-[4-(3-cyano-7,8-dimethyl-2-quinolyl)piperazin-1-yl]ethyl]-3-(p-tolyl)urea CAS Name: 1-[2-[4-(3-cyano-7,8-dimethyl-2-quinolinyl)-1-piperazinyl]ethyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[2-[4-(3-cyano-7,8-dimethylquinolin-2-yl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)urea Traditional Name: 1-[2-[4-(3-cyano-7,8-dimethyl-2-quinolyl)piperazino]ethyl]-3-(p-tolyl)urea Formula: C26H30N6O MolecularWeight: 442.556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=NC4=C(C=CC(=C4C)C)C=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=NC4=C(C=CC(=C4C)C)C=C3C#N

InChI

InChI=1S/C26H30N6O/c1-18-4-8-23(9-5-18)29-26(33)28-10-11-31-12-14-32(15-13-31)25-22(17-27)16-21-7-6-19(2)20(3)24(21)30-25/h4-9,16H,10-15H2,1-3H3,(H2,28,29,33)