ethyl 4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoate

Systemtic Name: ethyl 4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoate Openeye Name: ethyl 4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoate CAS Name: 4-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoate Traditional Name: 4-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]benzoic acid ethyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-2-24-17(23)15-5-7-16(8-6-15)21-11-4-12-22(14-13-21)18-19-9-3-10-20-18/h3,5-10H,2,4,11-14H2,1H3