[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] 4-ethoxypyridine-3-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] 4-ethoxypyridine-3-carboxylate Openeye Name: [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] 4-ethoxypyridine-3-carboxylate CAS Name: 4-ethoxy-3-pyridinecarboxylic acid [2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] ester IUPAC Name: [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] 4-ethoxypyridine-3-carboxylate Traditional Name: 4-ethoxynicotinic acid [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=NC=C1)C(=O)ON2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=C(C=NC=C1)C(=O)ON2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

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