[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H23BrN4OS/c1-16-20(14-23-26(16)18-7-5-17(22)6-8-18)21(27)25-10-3-9-24(11-12-25)15-19-4-2-13-28-19/h2,4-8,13-14H,3,9-12,15H2,1H3