(4S)-2-azanyl-4-(1-methylindol-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(1-methylindol-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(1-methylindol-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(1-methyl-3-indolyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(1-methylindol-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-4-(1-methylindol-3-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C19H17N3O2 MolecularWeight: 319.35718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(=C(OC4=C3C(=O)CCC4)N)C#N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N

InChI

InChI=1S/C19H17N3O2/c1-22-10-13(11-5-2-3-6-14(11)22)17-12(9-20)19(21)24-16-8-4-7-15(23)18(16)17/h2-3,5-6,10,17H,4,7-8,21H2,1H3/t17-/m1/s1