6-methoxy-2-methyl-4-phenyl-3-[(2-phenylpropan-2-ylamino)methyl]isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-4-phenyl-3-[(2-phenylpropan-2-ylamino)methyl]isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-[[(1-methyl-1-phenyl-ethyl)amino]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-4-phenyl-3-[(2-phenylpropan-2-ylamino)methyl]-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-4-phenyl-3-[(2-phenylpropan-2-ylamino)methyl]isoquinolin-1-one Traditional Name: 3-[(cumylamino)methyl]-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)NCC2=C(C3=C(C=CC(=C3)OC)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)NCC2=C(C3=C(C=CC(=C3)OC)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-27(2,20-13-9-6-10-14-20)28-18-24-25(19-11-7-5-8-12-19)23-17-21(31-4)15-16-22(23)26(30)29(24)3/h5-17,28H,18H2,1-4H3