N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-chloranyl-pyridine-3-carboxamide Openeye Name: N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-chloro-pyridine-3-carboxamide CAS Name: N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-chloropyridine-3-carboxamide Traditional Name: N-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-chloro-nicotinamide Formula: C29H31ClN4O MolecularWeight: 487.03564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=NNC(=O)C6=C(N=CC=C6)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=NNC(=O)C6=C(N=CC=C6)Cl

InChI

InChI=1S/C29H31ClN4O/c1-18-10-23(17-32-33-28(35)26-4-3-9-31-27(26)30)19(2)34(18)25-7-5-24(6-8-25)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,17,20-22H,11-16H2,1-2H3,(H,33,35)