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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)anthracene-1-carboxamide Openeye Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)anthracene-1-carboxamide CAS Name: 2-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)-1-anthracenecarboxamide IUPAC Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)anthracene-1-carboxamide Traditional Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)anthracene-1-carboxamide Formula: C36H34ClN7O2 MolecularWeight: 632.15386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON(C1=NNN=N1)C(=O)C2=C(C=CC3=CC4=CC=CC=C4C=C32)N5CCCNCC5(CC6=CC=CC=C6)C7=CC=C(C=C7)Cl

Isomeric SMILES

CCON(C1=NNN=N1)C(=O)C2=C(C=CC3=CC4=CC=CC=C4C=C32)N5CCCNCC5(CC6=CC=CC=C6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C36H34ClN7O2/c1-2-46-44(35-39-41-42-40-35)34(45)33-31-22-27-12-7-6-11-26(27)21-28(31)13-18-32(33)43-20-8-19-38-24-36(43,23-25-9-4-3-5-10-25)29-14-16-30(37)17-15-29/h3-7,9-18,21-22,38H,2,8,19-20,23-24H2,1H3,(H,39,40,41,42)