N-(4-propan-2-ylphenyl)-4-pyridin-4-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-pyridin-4-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[oxo(pyridin-4-yl)methyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-isonicotinoyl-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O2/c1-16(2)17-4-6-19(7-5-17)23-21(27)25-13-3-12-24(14-15-25)20(26)18-8-10-22-11-9-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)