N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyano-benzamide

Systemtic Name: N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyano-benzamide Openeye Name: N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyano-benzamide CAS Name: N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyanobenzamide IUPAC Name: N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyanobenzamide Traditional Name: N-[4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)phenyl]-4-cyano-benzamide Formula: C27H23N3O MolecularWeight: 405.49102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(C1)N=CC3=CC=CC=C23)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(C2C(C1)N=CC3=CC=CC=C23)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H23N3O/c28-16-18-8-10-20(11-9-18)27(31)30-22-14-12-19(13-15-22)23-6-3-7-25-26(23)24-5-2-1-4-21(24)17-29-25/h1-2,4-5,8-15,17,23,25-26H,3,6-7H2,(H,30,31)