N-[(2-chlorophenyl)methyl]-4-pyridin-3-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-pyridin-3-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(pyridine-3-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(pyridine-3-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-nicotinoyl-1,4-diazepane-1-carboxamide Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21ClN4O2/c20-17-7-2-1-5-15(17)14-22-19(26)24-10-4-9-23(11-12-24)18(25)16-6-3-8-21-13-16/h1-3,5-8,13H,4,9-12,14H2,(H,22,26)