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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16-5-6-17(2)20(15-16)21(23-13-4-11-22-12-14-23)18-7-9-19(24-3)10-8-18/h5-10,15,21-22H,4,11-14H2,1-3H3