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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-15-11-16(2)13-18(12-15)20(19-5-7-22-14-17(19)3)23-9-4-6-21-8-10-23/h5,7,11-14,20-21H,4,6,8-10H2,1-3H3