3-[(4-methylphenyl)amino]-2-[[(4-methylphenyl)amino]-pyridin-4-yl-methyl]-3-pyridin-4-yl-propanenitrile

Systemtic Name: 3-[(4-methylphenyl)amino]-2-[[(4-methylphenyl)amino]-pyridin-4-yl-methyl]-3-pyridin-4-yl-propanenitrile Openeye Name: 3-(4-methylanilino)-2-[(4-methylanilino)-(4-pyridyl)methyl]-3-(4-pyridyl)propanenitrile CAS Name: 3-(4-methylanilino)-2-[(4-methylanilino)-pyridin-4-ylmethyl]-3-pyridin-4-ylpropanenitrile IUPAC Name: 3-(4-methylanilino)-2-[(4-methylanilino)-pyridin-4-ylmethyl]-3-pyridin-4-ylpropanenitrile Traditional Name: 3-(p-toluidino)-2-[p-toluidino(4-pyridyl)methyl]-3-(4-pyridyl)propionitrile Formula: C28H27N5 MolecularWeight: 433.54748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=NC=C2)C(C#N)C(C3=CC=NC=C3)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(C2=CC=NC=C2)C(C#N)C(C3=CC=NC=C3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H27N5/c1-20-3-7-24(8-4-20)32-27(22-11-15-30-16-12-22)26(19-29)28(23-13-17-31-18-14-23)33-25-9-5-21(2)6-10-25/h3-18,26-28,32-33H,1-2H3