[3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ethanoate Openeye Name: [3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [3-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ester IUPAC Name: [3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl] ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=CC=C3)OC(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=CC=C3)OC(=O)C

InChI

InChI=1S/C21H27N3O2/c1-17-6-3-8-20(22-17)16-24-11-5-10-23(12-13-24)15-19-7-4-9-21(14-19)26-18(2)25/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3