1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-diethoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC

InChI

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