N-[1-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[1-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide Openeye Name: N-[1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-3-methyl-butyl]-2-methyl-benzamide CAS Name: N-[1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide IUPAC Name: N-[1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: N-[1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-3-methyl-butyl]-2-methyl-benzamide Formula: C27H31FN6O2 MolecularWeight: 490.572443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H31FN6O2/c1-17(2)15-24(32-26(35)21-8-5-4-7-18(21)3)27(36)31-14-6-9-23-22(16-29)25(30)34(33-23)20-12-10-19(28)11-13-20/h4-5,7-8,10-13,17,24H,6,9,14-15,30H2,1-3H3,(H,31,36)(H,32,35)