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

Systemtic Name: 1-[(2,5-dimethylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3 MolecularWeight: 295.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3/c1-15-6-7-16(2)18(13-15)19(17-5-3-8-21-14-17)22-11-4-9-20-10-12-22/h3,5-8,13-14,19-20H,4,9-12H2,1-2H3