methyl 3-nitro-5-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]benzoate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(4-benzylpiperazino)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-32-23(29)20-14-19(15-21(16-20)27(30)31)22(28)24-8-5-9-25-10-12-26(13-11-25)17-18-6-3-2-4-7-18/h2-4,6-7,14-16H,5,8-13,17H2,1H3,(H,24,28)