4-(azepan-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[2-(2-thienylmethyl)pyrazol-3-yl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-[2-(2-thenyl)pyrazol-3-yl]benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c27-21(23-20-9-10-22-25(20)15-17-6-5-13-30-17)16-7-8-18(19(14-16)26(28)29)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12,15H2,(H,23,27)