N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-methyl-2-[1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-methyl-2-[1-(2-oxolanylmethyl)-2-benzimidazolyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-methyl-2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-methyl-2-[1-(tetrahydrofurfuryl)benzimidazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5CCCO5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3CC5CCCO5

InChI

InChI=1S/C23H22N6O4/c1-15-12-21(25-22(30)16-6-4-7-17(13-16)29(31)32)28(26-15)23-24-19-9-2-3-10-20(19)27(23)14-18-8-5-11-33-18/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,30)