3-azanyl-4-(3,4-dimethoxyphenyl)-2-phenethyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(3,4-dimethoxyphenyl)-2-phenethyl-isoquinolin-1-one Openeye Name: 3-amino-4-(3,4-dimethoxyphenyl)-2-phenethyl-isoquinolin-1-one CAS Name: 3-amino-4-(3,4-dimethoxyphenyl)-2-phenethyl-1-isoquinolinone IUPAC Name: 3-amino-4-(3,4-dimethoxyphenyl)-2-phenethylisoquinolin-1-one Traditional Name: 3-amino-4-(3,4-dimethoxyphenyl)-2-phenethyl-isocarbostyril Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C25H24N2O3/c1-29-21-13-12-18(16-22(21)30-2)23-19-10-6-7-11-20(19)25(28)27(24(23)26)15-14-17-8-4-3-5-9-17/h3-13,16H,14-15,26H2,1-2H3