2-azanyl-5-oxidanylidene-4-(phenylmethyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-5-oxidanylidene-4-(phenylmethyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-benzyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-5-oxo-4-(phenylmethyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-benzyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-benzyl-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)CC3=CC=CC=C3)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)CC3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C17H16N2O2/c18-10-13-12(9-11-5-2-1-3-6-11)16-14(20)7-4-8-15(16)21-17(13)19/h1-3,5-6,12H,4,7-9,19H2