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

Systemtic Name: 4-(6-chloranylpyridin-3-yl)carbonyl-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloropyridine-3-carbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(6-chloro-3-pyridinyl)-oxomethyl]-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloropyridine-3-carbonyl)-N-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloronicotinoyl)-N-(4-fluorobenzyl)-1,4-diazepane-1-carboxamide Formula: C19H20ClFN4O2 MolecularWeight: 390.839103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H20ClFN4O2/c20-17-7-4-15(13-22-17)18(26)24-8-1-9-25(11-10-24)19(27)23-12-14-2-5-16(21)6-3-14/h2-7,13H,1,8-12H2,(H,23,27)