2-azanyl-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)13-5-6-16-14(9-13)19(15(10-22)20(23)24-16)12-4-7-17-18(8-12)26-11-25-17/h4,7-8,13H,5-6,9,11H2,1-3H3,(H2,23,24)