4-(6-chloranylpyridin-3-yl)carbonyl-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-chloranylpyridin-3-yl)carbonyl-N-[(2-chlorophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(6-chloropyridine-3-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(6-chloropyridine-3-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(6-chloronicotinoyl)-1,4-diazepane-1-carboxamide Formula: C19H20Cl2N4O2 MolecularWeight: 407.2937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4O2/c20-16-5-2-1-4-14(16)12-23-19(27)25-9-3-8-24(10-11-25)18(26)15-6-7-17(21)22-13-15/h1-2,4-7,13H,3,8-12H2,(H,23,27)