3-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]benzamide

Systemtic Name: 3-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]benzamide Openeye Name: 3-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzamide CAS Name: 3-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]benzamide IUPAC Name: 3-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]benzamide Traditional Name: 3-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O2/c1-15-6-7-18(21(27)25-10-3-8-23-9-11-25)13-19(15)24-20(26)17-5-2-4-16(12-17)14-22/h2,4-7,12-13,23H,3,8-11H2,1H3,(H,24,26)