2-nitro-N-(4-phenylbutan-2-yl)-5-piperazin-1-yl-aniline hydrochloride

Systemtic Name: 2-nitro-N-(4-phenylbutan-2-yl)-5-piperazin-1-yl-aniline hydrochloride Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-nitro-5-piperazin-1-yl-aniline hydrochloride CAS Name: 2-nitro-N-(4-phenylbutan-2-yl)-5-(1-piperazinyl)aniline hydrochloride IUPAC Name: 2-nitro-N-(4-phenylbutan-2-yl)-5-piperazin-1-ylaniline hydrochloride Traditional Name: (1-methyl-3-phenyl-propyl)-(2-nitro-5-piperazino-phenyl)amine hydrochloride Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H26N4O2.ClH/c1-16(7-8-17-5-3-2-4-6-17)22-19-15-18(9-10-20(19)24(25)26)23-13-11-21-12-14-23;/h2-6,9-10,15-16,21-22H,7-8,11-14H2,1H3;1H