4-[4-(3-methylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[4-(m-tolyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(3-methylphenyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[4-(m-tolyl)piperazino]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-15(2)22-21(26)17-7-8-19(20(14-17)25(27)28)24-11-9-23(10-12-24)18-6-4-5-16(3)13-18/h4-8,13-15H,9-12H2,1-3H3,(H,22,26)