1-[4-(2-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[4-(2-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(2-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolyl]urea CAS Name: 1-[4-(2-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(2-methoxyphenyl)-2-methyl-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-benzyl-3-[1-keto-4-(2-methoxyphenyl)-2-methyl-3-isoquinolyl]urea Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3OC)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3OC)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-28-23(27-25(30)26-16-17-10-4-3-5-11-17)22(20-14-8-9-15-21(20)31-2)18-12-6-7-13-19(18)24(28)29/h3-15H,16H2,1-2H3,(H2,26,27,30)