[4-(4-bromanylpyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(4-bromanylpyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(4-bromopyrazol-1-yl)phenyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-bromo-1-pyrazolyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(4-bromopyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-bromopyrazol-1-yl)phenyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)CC4=CC=CS4

InChI

InChI=1S/C20H21BrN4OS/c21-17-13-22-25(14-17)18-6-4-16(5-7-18)20(26)24-9-2-8-23(10-11-24)15-19-3-1-12-27-19/h1,3-7,12-14H,2,8-11,15H2