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

Systemtic Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazino]-p-cumenyl-methanone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-4-23-20-15-19(9-10-21(20)26(28)29)24-11-13-25(14-12-24)22(27)18-7-5-17(6-8-18)16(2)3/h5-10,15-16,23H,4,11-14H2,1-3H3