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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C21H28N2O MolecularWeight: 324.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16-8-9-20(17(2)14-16)21(23-12-5-10-22-11-13-23)18-6-4-7-19(15-18)24-3/h4,6-9,14-15,21-22H,5,10-13H2,1-3H3