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

Systemtic Name: 3-(aminomethyl)-2-butyl-6-chloranyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-2-butyl-6-chloro-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-2-butyl-6-chloro-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-2-butyl-6-chloro-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-2-butyl-6-chloro-4-phenyl-isocarbostyril Formula: C20H21ClN2O MolecularWeight: 340.84654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

Isomeric SMILES

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

InChI

InChI=1S/C20H21ClN2O/c1-2-3-11-23-18(13-22)19(14-7-5-4-6-8-14)17-12-15(21)9-10-16(17)20(23)24/h4-10,12H,2-3,11,13,22H2,1H3