1-[(3-ethoxy-4-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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