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

Systemtic Name: 4-(6-chloranylpyridin-3-yl)carbonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloropyridine-3-carbonyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(6-chloro-3-pyridinyl)-oxomethyl]-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloropyridine-3-carbonyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloronicotinoyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Formula: C16H21ClN4O2 MolecularWeight: 336.81654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4O2/c17-14-5-4-13(11-18-14)15(22)20-6-1-7-21(9-8-20)16(23)19-10-12-2-3-12/h4-5,11-12H,1-3,6-10H2,(H,19,23)