5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol

Systemtic Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenol CAS Name: 5-methyl-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-propan-2-ylphenol IUPAC Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(4-nitrophenyl)piperazino]methyl]phenol Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O3/c1-15(2)20-13-17(21(25)12-16(20)3)14-22-8-10-23(11-9-22)18-4-6-19(7-5-18)24(26)27/h4-7,12-13,15,25H,8-11,14H2,1-3H3