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

Systemtic Name: 4-(6-chloranylpyridin-3-yl)carbonyl-N-phenethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloropyridine-3-carbonyl)-N-phenethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(6-chloro-3-pyridinyl)-oxomethyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloropyridine-3-carbonyl)-N-phenethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloronicotinoyl)-N-phenethyl-1,4-diazepane-1-carboxamide Formula: C20H23ClN4O2 MolecularWeight: 386.87522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-18-8-7-17(15-23-18)19(26)24-11-4-12-25(14-13-24)20(27)22-10-9-16-5-2-1-3-6-16/h1-3,5-8,15H,4,9-14H2,(H,22,27)