1-[(2,5-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCCNCC3

InChI

InChI=1S/C21H29N3O2/c1-4-16-6-8-19(23-15-16)21(24-12-5-10-22-11-13-24)18-14-17(25-2)7-9-20(18)26-3/h6-9,14-15,21-22H,4-5,10-13H2,1-3H3