5-(3,5-dimethylphenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(3,5-dimethylphenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(3,5-dimethylphenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(3,5-dimethylphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(3,5-dimethylphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(3,5-dimethylphenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)C

InChI

InChI=1S/C18H23N3/c1-14-11-15(2)13-16(12-14)17-6-9-21(10-8-19-17)18-5-3-4-7-20-18/h3-5,7,11-13,17,19H,6,8-10H2,1-2H3