[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl] 2-ethoxybenzoate

Systemtic Name: [2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl] 2-ethoxybenzoate Openeye Name: [2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1,4-diazepan-1-yl] ester IUPAC Name: [2-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1,4-diazepan-1-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl] ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)ON2CCCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)ON2CCCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C26H28ClN3O3/c1-2-32-24-10-4-3-8-21(24)26(31)33-30-17-7-15-28-18-23(30)25(22-9-5-6-16-29-22)19-11-13-20(27)14-12-19/h3-6,8-14,16,23,25,28H,2,7,15,17-18H2,1H3