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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)[N+](=O)[O-]

InChI

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