3-(1-azanylethyl)-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(1-azanylethyl)-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(1-aminoethyl)-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(1-aminoethyl)-2,6,7-trimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(1-aminoethyl)-2,6,7-trimethyl-4-phenylisoquinolin-1-one Traditional Name: 3-(1-aminoethyl)-2,6,7-trimethyl-4-phenyl-isocarbostyril Formula: C20H22N2O MolecularWeight: 306.40148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(C)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(C)N)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2O/c1-12-10-16-17(11-13(12)2)20(23)22(4)19(14(3)21)18(16)15-8-6-5-7-9-15/h5-11,14H,21H2,1-4H3