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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H29N3 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

InChI

InChI=1S/C21H29N3/c1-4-18-6-7-20(23-15-18)21(24-10-5-8-22-9-11-24)19-13-16(2)12-17(3)14-19/h6-7,12-15,21-22H,4-5,8-11H2,1-3H3