[1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-(4-nitrophenyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C20H21N5O3S/c26-20(23-9-2-8-22(10-11-23)15-19-3-1-12-29-19)16-13-21-24(14-16)17-4-6-18(7-5-17)25(27)28/h1,3-7,12-14H,2,8-11,15H2