4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzenecarbonitrile Openeye Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzonitrile CAS Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzonitrile IUPAC Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzonitrile Traditional Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzonitrile Formula: C20H18N2 MolecularWeight: 286.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(C1)N=CC3=CC=CC=C23)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(C2C(C1)N=CC3=CC=CC=C23)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H18N2/c21-12-14-8-10-15(11-9-14)17-6-3-7-19-20(17)18-5-2-1-4-16(18)13-22-19/h1-2,4-5,8-11,13,17,19-20H,3,6-7H2