N-[3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-3-oxidanylidene-propyl]furan-2-carboxamide

Systemtic Name: N-[3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-3-keto-propyl]-2-furamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCNC(=O)C3=CC=CO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCNC(=O)C3=CC=CO3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O3/c1-19-11-12-21(16-20(19)2)26-22(18-31(29-26)23-8-5-4-6-9-23)17-30(3)25(32)13-14-28-27(33)24-10-7-15-34-24/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,28,33)