8-[(3-azanyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-3-oxidanyl-4-phenylazanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 8-[(3-azanyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-3-oxidanyl-4-phenylazanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 8-[(3-amino-1,2,4-oxadiazol-5-yl)methyl]-4-anilino-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 8-[(3-amino-1,2,4-oxadiazol-5-yl)methyl]-4-anilino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 8-[(3-amino-1,2,4-oxadiazol-5-yl)methyl]-4-anilino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 8-[(3-amino-1,2,4-oxadiazol-5-yl)methyl]-4-anilino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC(=C2)C#N)CC3=NC(=NO3)N)NC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC(=C2)C#N)CC3=NC(=NO3)N)NC4=CC=CC=C4)O)C

InChI

InChI=1S/C21H21N5O3/c1-21(2)19(27)17(24-14-6-4-3-5-7-14)15-9-12(11-22)8-13(18(15)28-21)10-16-25-20(23)26-29-16/h3-9,17,19,24,27H,10H2,1-2H3,(H2,23,26)