1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(4-isopropylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-p-cumenyl-methyl]-1,4-diazepane Formula: C21H27BrN2 MolecularWeight: 387.35648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2/c1-16(2)17-7-9-18(10-8-17)21(19-5-3-6-20(22)15-19)24-13-4-11-23-12-14-24/h3,5-10,15-16,21,23H,4,11-14H2,1-2H3