1-[1-(3-ethoxy-4-methoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC

InChI

InChI=1S/C21H29N3O2/c1-3-26-21-15-17(8-9-20(21)25-2)19(16-18-7-4-5-11-23-18)24-13-6-10-22-12-14-24/h4-5,7-9,11,15,19,22H,3,6,10,12-14,16H2,1-2H3