1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(furan-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(2-furfuryl)-1,4-diazepane Formula: C22H24BrN3O MolecularWeight: 426.34946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CC=CO4

InChI

InChI=1S/C22H24BrN3O/c23-20-6-4-18(5-7-20)22-8-9-24-15-19(22)16-25-10-2-11-26(13-12-25)17-21-3-1-14-27-21/h1,3-9,14-15H,2,10-13,16-17H2