5-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-indole

Systemtic Name: 5-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole CAS Name: 5-nitro-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indole IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole Traditional Name: 3-[(4-benzylpiperazino)methyl]-5-nitro-1H-indole Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c25-24(26)18-6-7-20-19(12-18)17(13-21-20)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,21H,8-11,14-15H2