2-[4-[[6-butyl-2-oxidanylidene-3-(propan-2-ylamino)pyridin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[6-butyl-2-oxidanylidene-3-(propan-2-ylamino)pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-3-(isopropylamino)-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-(propan-2-ylamino)-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-2-oxo-3-(propan-2-ylamino)pyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-3-(isopropylamino)-2-keto-1-pyridyl]methyl]phenyl]benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(C)C

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(C)C

InChI

InChI=1S/C26H29N3O/c1-4-5-9-23-15-16-25(28-19(2)3)26(30)29(23)18-20-11-13-21(14-12-20)24-10-7-6-8-22(24)17-27/h6-8,10-16,19,28H,4-5,9,18H2,1-3H3