5-(4-methoxy-3,5-dimethyl-phenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(4-methoxy-3,5-dimethyl-phenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(4-methoxy-3,5-dimethyl-phenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(4-methoxy-3,5-dimethylphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(4-methoxy-3,5-dimethylphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(4-methoxy-3,5-dimethyl-phenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C19H25N3O/c1-14-12-16(13-15(2)19(14)23-3)17-7-10-22(11-9-20-17)18-6-4-5-8-21-18/h4-6,8,12-13,17,20H,7,9-11H2,1-3H3