1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dimethylphenyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-dimethylphenyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C21H28N2 MolecularWeight: 308.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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