1-[2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolyl]-3-(m-tolyl)urea CAS Name: 1-[2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenylisoquinolin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-(2-diethylaminoethyl)-1-keto-6,7-dimethyl-4-phenyl-3-isoquinolyl]-3-(m-tolyl)urea Formula: C31H36N4O2 MolecularWeight: 496.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCN(CC)CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C31H36N4O2/c1-6-34(7-2)16-17-35-29(33-31(37)32-25-15-11-12-21(3)18-25)28(24-13-9-8-10-14-24)26-19-22(4)23(5)20-27(26)30(35)36/h8-15,18-20H,6-7,16-17H2,1-5H3,(H2,32,33,37)