N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-yl-benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-yl-benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-isopropyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[(4-ethyl-1-piperazinyl)methyl]-1-propan-2-yl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[(4-ethylpiperazino)methyl]-1-isopropyl-benzimidazol-5-yl]-3-nitro-benzamide Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O3/c1-4-27-10-12-28(13-11-27)16-23-26-21-15-19(8-9-22(21)29(23)17(2)3)25-24(31)18-6-5-7-20(14-18)30(32)33/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,25,31)