2-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)naphthalene-1-carboxamide

Systemtic Name: 2-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)naphthalene-1-carboxamide Openeye Name: 2-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide CAS Name: 2-[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)-1-naphthalenecarboxamide IUPAC Name: 2-[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide Traditional Name: 2-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl]-N-ethoxy-N-(2H-tetrazol-5-yl)-1-naphthamide Formula: C31H31ClN8O2 MolecularWeight: 583.08324

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Descriptors Computed from Structure

Canonical SMILES:

CCON(C1=NNN=N1)C(=O)C2=C(C=CC3=CC=CC=C32)N4CCCNCC4C(C5=CC=C(C=C5)Cl)C6=CC=CC=N6

Isomeric SMILES

CCON(C1=NNN=N1)C(=O)C2=C(C=CC3=CC=CC=C32)N4CCCNCC4C(C5=CC=C(C=C5)Cl)C6=CC=CC=N6

InChI

InChI=1S/C31H31ClN8O2/c1-2-42-40(31-35-37-38-36-31)30(41)29-24-9-4-3-8-21(24)13-16-26(29)39-19-7-17-33-20-27(39)28(25-10-5-6-18-34-25)22-11-14-23(32)15-12-22/h3-6,8-16,18,27-28,33H,2,7,17,19-20H2,1H3,(H,35,36,37,38)