3-(aminomethyl)-6-chloranyl-2-pentyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-6-chloranyl-2-pentyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-6-chloro-2-pentyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-6-chloro-2-pentyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-6-chloro-2-pentyl-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-2-amyl-6-chloro-4-phenyl-isocarbostyril Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

Isomeric SMILES

CCCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

InChI

InChI=1S/C21H23ClN2O/c1-2-3-7-12-24-19(14-23)20(15-8-5-4-6-9-15)18-13-16(22)10-11-17(18)21(24)25/h4-6,8-11,13H,2-3,7,12,14,23H2,1H3