1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,6-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=C2OC)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCCNCC3

InChI

InChI=1S/C21H29N3O2/c1-4-16-9-10-17(23-15-16)21(24-13-6-11-22-12-14-24)20-18(25-2)7-5-8-19(20)26-3/h5,7-10,15,21-22H,4,6,11-14H2,1-3H3