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

Systemtic Name: 3-(aminomethyl)-6-azanyl-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-amino-3-(aminomethyl)-2-isobutyl-4-phenyl-isoquinolin-1-one CAS Name: 6-amino-3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-amino-3-(aminomethyl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 6-amino-3-(aminomethyl)-2-isobutyl-4-phenyl-isocarbostyril Formula: C20H23N3O MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O/c1-13(2)12-23-18(11-21)19(14-6-4-3-5-7-14)17-10-15(22)8-9-16(17)20(23)24/h3-10,13H,11-12,21-22H2,1-2H3