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

Systemtic Name: [4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-phenyl]-phenyl-methanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3/c1-15-13-16(2)24(23-15)12-6-11-22-19-10-9-18(14-20(19)25(27)28)21(26)17-7-4-3-5-8-17/h3-5,7-10,13-14,22H,6,11-12H2,1-2H3