3,6-bis(aminomethyl)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 3,6-bis(aminomethyl)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one Openeye Name: 3,6-bis(aminomethyl)-2-isobutyl-4-phenyl-isoquinolin-1-one CAS Name: 3,6-bis(aminomethyl)-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 3,6-bis(aminomethyl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 3,6-bis(aminomethyl)-2-isobutyl-4-phenyl-isocarbostyril Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CN)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CN)C3=CC=CC=C3)CN

InChI

InChI=1S/C21H25N3O/c1-14(2)13-24-19(12-23)20(16-6-4-3-5-7-16)18-10-15(11-22)8-9-17(18)21(24)25/h3-10,14H,11-13,22-23H2,1-2H3