1-[2-pyridin-2-yl-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane Openeye Name: 1-[2-(2-pyridyl)-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane CAS Name: 1-[2-(2-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane IUPAC Name: 1-[2-pyridin-2-yl-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane Traditional Name: 1-[2-(2-pyridyl)-1-(2,3,4-trimethoxyphenyl)ethyl]-1,4-diazepane Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC)OC

InChI

InChI=1S/C21H29N3O3/c1-25-19-9-8-17(20(26-2)21(19)27-3)18(15-16-7-4-5-11-23-16)24-13-6-10-22-12-14-24/h4-5,7-9,11,18,22H,6,10,12-15H2,1-3H3