2-nitro-5-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline hydrochloride

Systemtic Name: 2-nitro-5-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline hydrochloride Openeye Name: N-[(4-isopropylphenyl)methyl]-2-nitro-5-piperazin-1-yl-aniline hydrochloride CAS Name: 2-nitro-5-(1-piperazinyl)-N-[(4-propan-2-ylphenyl)methyl]aniline hydrochloride IUPAC Name: 2-nitro-5-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline hydrochloride Traditional Name: (4-isopropylbenzyl)-(2-nitro-5-piperazino-phenyl)amine hydrochloride Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H26N4O2.ClH/c1-15(2)17-5-3-16(4-6-17)14-22-19-13-18(7-8-20(19)24(25)26)23-11-9-21-10-12-23;/h3-8,13,15,21-22H,9-12,14H2,1-2H3;1H