1-[(4-ethoxy-3-methoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-3-25-18-8-7-16(14-19(18)24-2)20(17-6-4-9-22-15-17)23-12-5-10-21-11-13-23/h4,6-9,14-15,20-21H,3,5,10-13H2,1-2H3