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

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(3-thenyl)-1,4-diazepane Formula: C22H24BrN3S MolecularWeight: 442.41506

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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=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CSC=C4

InChI

InChI=1S/C22H24BrN3S/c23-21-4-2-19(3-5-21)22-6-8-24-14-20(22)16-26-10-1-9-25(11-12-26)15-18-7-13-27-17-18/h2-8,13-14,17H,1,9-12,15-16H2