1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C20H25FN2 MolecularWeight: 312.424303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2/c1-15-7-8-16(2)19(13-15)20(17-5-3-6-18(21)14-17)23-11-4-9-22-10-12-23/h3,5-8,13-14,20,22H,4,9-12H2,1-2H3