[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone

Systemtic Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone Openeye Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone CAS Name: [4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methoxy-3-methylphenyl)methanone IUPAC Name: [4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone Traditional Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazino]-(2-methoxy-3-methyl-phenyl)methanone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-4-22-18-14-16(8-9-19(18)25(27)28)23-10-12-24(13-11-23)21(26)17-7-5-6-15(2)20(17)29-3/h5-9,14,22H,4,10-13H2,1-3H3