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

Systemtic Name: 1-[1-(2,4-dimethylphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(2,4-dimethylphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(2,4-dimethylphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(2,4-dimethylphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)C

InChI

InChI=1S/C20H27N3/c1-16-7-8-19(17(2)14-16)20(15-18-6-3-4-10-22-18)23-12-5-9-21-11-13-23/h3-4,6-8,10,14,20-21H,5,9,11-13,15H2,1-2H3