4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitro-benzamide hydrochloride

Systemtic Name: 4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitro-benzamide hydrochloride Openeye Name: 4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitro-benzamide hydrochloride CAS Name: 4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide hydrochloride IUPAC Name: 4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide hydrochloride Traditional Name: 4-(3-cycloheptylpropylamino)-N-(3-methoxyphenyl)-3-nitro-benzamide hydrochloride Formula: C24H32ClN3O4 MolecularWeight: 461.98158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCCCC3CCCCCC3)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCCCC3CCCCCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C24H31N3O4.ClH/c1-31-21-12-6-11-20(17-21)26-24(28)19-13-14-22(23(16-19)27(29)30)25-15-7-10-18-8-4-2-3-5-9-18;/h6,11-14,16-18,25H,2-5,7-10,15H2,1H3,(H,26,28);1H