4-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxamide

Systemtic Name: 4-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxamide Openeye Name: 4-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)pyridine-3-carboxamide CAS Name: 4-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)-3-pyridinecarboxamide IUPAC Name: 4-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)pyridine-3-carboxamide Traditional Name: 4-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)nicotinamide Formula: C27H29ClN8O2 MolecularWeight: 533.02456

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Descriptors Computed from Structure

Canonical SMILES:

CCON(C1=NNN=N1)C(=O)C2=C(C=CN=C2)N3CCCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCON(C1=NNN=N1)C(=O)C2=C(C=CN=C2)N3CCCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN8O2/c1-2-38-36(26-31-33-34-32-26)25(37)23-18-29-15-13-24(23)35-16-6-14-30-19-27(35,17-20-7-4-3-5-8-20)21-9-11-22(28)12-10-21/h3-5,7-13,15,18,30H,2,6,14,16-17,19H2,1H3,(H,31,32,33,34)