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

Systemtic Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-isopropylphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(4-propan-2-ylphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-p-cumenyl-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C21H29N3 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3/c1-17(2)18-7-9-19(10-8-18)21(16-20-6-3-4-12-23-20)24-14-5-11-22-13-15-24/h3-4,6-10,12,17,21-22H,5,11,13-16H2,1-2H3