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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2C)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC=C2C)N3CCCNCC3

InChI

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