1-[(4-propan-2-ylphenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-propan-2-ylphenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-isopropylphenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-propan-2-ylphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[p-cumenyl(2-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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