1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3 MolecularWeight: 295.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=NC=C2)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=NC=C2)N3CCCNCC3)C

InChI

InChI=1S/C19H25N3/c1-15-12-16(2)14-18(13-15)19(17-4-7-21-8-5-17)22-10-3-6-20-9-11-22/h4-5,7-8,12-14,19-20H,3,6,9-11H2,1-2H3