1-[(5-ethylpyridin-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O/c1-3-16-8-9-19(22-15-16)20(23-12-5-10-21-11-13-23)17-6-4-7-18(14-17)24-2/h4,6-9,14-15,20-21H,3,5,10-13H2,1-2H3