4-(6-chloranylpyridin-3-yl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-chloranylpyridin-3-yl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(6-chloropyridine-3-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(6-chloro-3-pyridinyl)-oxomethyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(6-chloropyridine-3-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(6-chloronicotinoyl)-1,4-diazepane-1-carboxamide Formula: C19H21ClN4O2 MolecularWeight: 372.84864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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