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

Systemtic Name: 4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitro-benzamide Openeye Name: 4-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-3-nitro-benzamide CAS Name: 4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitrobenzamide Traditional Name: 4-[2-[4-(m-tolyl)piperazino]ethylamino]-3-nitro-benzamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-15-3-2-4-17(13-15)24-11-9-23(10-12-24)8-7-22-18-6-5-16(20(21)26)14-19(18)25(27)28/h2-6,13-14,22H,7-12H2,1H3,(H2,21,26)