[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone

Systemtic Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-(4-propoxyphenyl)methanone Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

InChI

InChI=1S/C25H29N5O4/c1-4-15-34-22-8-5-20(6-9-22)25(31)28-13-11-27(12-14-28)21-7-10-23(30(32)33)24(17-21)29-19(3)16-18(2)26-29/h5-10,16-17H,4,11-15H2,1-3H3