1-[3-(dimethylamino)-4-methyl-phenyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

Systemtic Name: 1-[3-(dimethylamino)-4-methyl-phenyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-[3-(dimethylamino)-4-methyl-phenyl]-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-[3-(dimethylamino)-4-methylphenyl]-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-[3-(dimethylamino)-4-methylphenyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-[3-(dimethylamino)-4-methyl-phenyl]-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C)N(C)C

InChI

InChI=1S/C23H28N4O2/c1-15(2)13-27-14-20(18-8-6-7-9-19(18)22(27)28)25-23(29)24-17-11-10-16(3)21(12-17)26(4)5/h6-12,14-15H,13H2,1-5H3,(H2,24,25,29)