N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-(1,4-diazepan-1-yl)nicotinamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

InChI

InChI=1S/C21H28N4O/c1-21(2,3)16-7-9-17(10-8-16)24-20(26)18-6-4-12-23-19(18)25-14-5-11-22-13-15-25/h4,6-10,12,22H,5,11,13-15H2,1-3H3,(H,24,26)