tert-butyl N-[(4-cyanophenyl)methyl]-N-[4-(3-methylphenyl)carbonylpyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[(4-cyanophenyl)methyl]-N-[4-(3-methylphenyl)carbonylpyridin-2-yl]carbamate Openeye Name: tert-butyl N-[(4-cyanophenyl)methyl]-N-[4-(3-methylbenzoyl)-2-pyridyl]carbamate CAS Name: N-[(4-cyanophenyl)methyl]-N-[4-[(3-methylphenyl)-oxomethyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-cyanophenyl)methyl]-N-[4-(3-methylbenzoyl)pyridin-2-yl]carbamate Traditional Name: N-(4-cyanobenzyl)-N-(4-m-toluoyl-2-pyridyl)carbamic acid tert-butyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC(=NC=C2)N(CC3=CC=C(C=C3)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC(=NC=C2)N(CC3=CC=C(C=C3)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H25N3O3/c1-18-6-5-7-21(14-18)24(30)22-12-13-28-23(15-22)29(25(31)32-26(2,3)4)17-20-10-8-19(16-27)9-11-20/h5-15H,17H2,1-4H3