3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-6-benzyloxy-4-(4-fluorophenyl)-2-isobutyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one Traditional Name: 3-(aminomethyl)-6-benzoxy-4-(4-fluorophenyl)-2-isobutyl-isocarbostyril Formula: C27H27FN2O2 MolecularWeight: 430.513883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F)CN

InChI

InChI=1S/C27H27FN2O2/c1-18(2)16-30-25(15-29)26(20-8-10-21(28)11-9-20)24-14-22(12-13-23(24)27(30)31)32-17-19-6-4-3-5-7-19/h3-14,18H,15-17,29H2,1-2H3