(2,4-dichlorophenyl)-[1,3-dimethyl-5-(3-phenylazanylpropoxy)pyrazol-4-yl]methanone

Systemtic Name: (2,4-dichlorophenyl)-[1,3-dimethyl-5-(3-phenylazanylpropoxy)pyrazol-4-yl]methanone Openeye Name: [5-(3-anilinopropoxy)-1,3-dimethyl-pyrazol-4-yl]-(2,4-dichlorophenyl)methanone CAS Name: [5-(3-anilinopropoxy)-1,3-dimethyl-4-pyrazolyl]-(2,4-dichlorophenyl)methanone IUPAC Name: [5-(3-anilinopropoxy)-1,3-dimethylpyrazol-4-yl]-(2,4-dichlorophenyl)methanone Traditional Name: [5-(3-anilinopropoxy)-1,3-dimethyl-pyrazol-4-yl]-(2,4-dichlorophenyl)methanone Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCCCNC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCCCNC3=CC=CC=C3)C

InChI

InChI=1S/C21H21Cl2N3O2/c1-14-19(20(27)17-10-9-15(22)13-18(17)23)21(26(2)25-14)28-12-6-11-24-16-7-4-3-5-8-16/h3-5,7-10,13,24H,6,11-12H2,1-2H3