1-[(4-ethoxyphenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethoxyphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-ethoxyphenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[p-phenetyl(3-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCNCC3

InChI

InChI=1S/C19H25N3O/c1-2-23-18-8-6-16(7-9-18)19(17-5-3-10-21-15-17)22-13-4-11-20-12-14-22/h3,5-10,15,19-20H,2,4,11-14H2,1H3