3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-(6-nitro-1H-benzimidazol-2-yl)-1-(4-phenylpiperazino)propan-1-one Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c26-20(24-12-10-23(11-13-24)15-4-2-1-3-5-15)9-8-19-21-17-7-6-16(25(27)28)14-18(17)22-19/h1-7,14H,8-13H2,(H,21,22)