2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]phenoxy]-N-phenylacetamide IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]-N-phenylacetamide Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]phenoxy]-N-phenyl-acetamide Formula: C27H22N5O2+ MolecularWeight: 448.49588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C27H21N5O2/c1-16-21(25-17(2)23(14-29)27(30)32-26(25)22(16)13-28)12-18-8-10-20(11-9-18)34-15-24(33)31-19-6-4-3-5-7-19/h3-12H,15H2,1-2H3,(H2,30,32)(H,31,33)/p+1