3-(aminomethyl)-2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)chromene-6-carbonitrile

Systemtic Name: 3-(aminomethyl)-2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)chromene-6-carbonitrile Openeye Name: 3-(aminomethyl)-2,2-dimethyl-4-(1-oxoisoindolin-2-yl)chromene-6-carbonitrile CAS Name: 3-(aminomethyl)-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-6-carbonitrile IUPAC Name: 3-(aminomethyl)-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)chromene-6-carbonitrile Traditional Name: 3-(aminomethyl)-4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-chromene-6-carbonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)CN)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)CN)C

InChI

InChI=1S/C21H19N3O2/c1-21(2)17(11-23)19(16-9-13(10-22)7-8-18(16)26-21)24-12-14-5-3-4-6-15(14)20(24)25/h3-9H,11-12,23H2,1-2H3