1-(6,7-dimethyl-1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(6,7-dimethyl-1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinolin-3-yl)urea CAS Name: 1-(6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinolin-3-yl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinolin-3-yl)urea Traditional Name: 1-benzyl-3-(1-keto-6,7-dimethyl-4-phenyl-2H-isoquinolin-3-yl)urea Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(NC2=O)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(NC2=O)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O2/c1-16-13-20-21(14-17(16)2)24(29)27-23(22(20)19-11-7-4-8-12-19)28-25(30)26-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3,(H3,26,27,28,29,30)