3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]benzamide Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]benzamide Traditional Name: 4-[4-(4-isopropylbenzyl)piperazino]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-15(2)17-5-3-16(4-6-17)14-23-9-11-24(12-10-23)19-8-7-18(21(22)26)13-20(19)25(27)28/h3-8,13,15H,9-12,14H2,1-2H3,(H2,22,26)