3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-oxidanylidene-N-[(Z)-(phenylmethylidene)amino]propanamide

Systemtic Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-oxidanylidene-N-[(Z)-(phenylmethylidene)amino]propanamide Openeye Name: N-[(Z)-benzylideneamino]-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-oxo-propanamide CAS Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-oxo-N-[(Z)-(phenylmethylene)amino]propanamide IUPAC Name: N-[(Z)-benzylideneamino]-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-oxopropanamide Traditional Name: N-[(Z)-benzalamino]-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-keto-propionamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C(=O)NN=CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C(=O)N/N=C\C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2/c1-21(2)13-16-10-6-7-11-17(16)18(23-21)12-19(25)20(26)24-22-14-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,24,26)/b22-14-