3-[(E)-3-azanylbut-2-enoyl]-6-chloranyl-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[(E)-3-azanylbut-2-enoyl]-6-chloranyl-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[(E)-3-aminobut-2-enoyl]-6-chloro-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[(E)-3-amino-1-oxobut-2-enyl]-6-chloro-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[(E)-3-aminobut-2-enoyl]-6-chloro-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[(E)-3-aminobut-2-enoyl]-6-chloro-2-methyl-4-phenyl-isocarbostyril Formula: C20H17ClN2O2 MolecularWeight: 352.81418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C\C(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=CC=C3)/N

InChI

InChI=1S/C20H17ClN2O2/c1-12(22)10-17(24)19-18(13-6-4-3-5-7-13)16-11-14(21)8-9-15(16)20(25)23(19)2/h3-11H,22H2,1-2H3/b12-10+