N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3,5-bis(chloranyl)-4-methoxy-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3,5-bis(chloranyl)-4-methoxy-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3,5-dichloro-4-methoxy-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3,5-dichloro-4-methoxybenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3,5-dichloro-4-methoxybenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3,5-dichloro-4-methoxy-benzamide Formula: C21H19Cl2N5O2 MolecularWeight: 444.31386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19Cl2N5O2/c1-30-19-16(22)10-13(11-17(19)23)21(29)26-9-5-8-18-15(12-24)20(25)28(27-18)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,25H2,1H3,(H,26,29)