1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]-1,4-diazepane Formula: C21H28N2 MolecularWeight: 308.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCCNCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCCNCC3

InChI

InChI=1S/C21H28N2/c1-16-9-10-18(3)20(15-16)21(19-8-5-4-7-17(19)2)23-13-6-11-22-12-14-23/h4-5,7-10,15,21-22H,6,11-14H2,1-3H3