1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)N5CCN(CC5)C6CCOCC6)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)N5CCN(CC5)C6CCOCC6)C#N

InChI

InChI=1S/C28H30N6O4/c1-19-24(17-30-34(19)23-3-5-26-27(15-23)38-18-37-26)28(35)31-21-2-4-25(20(14-21)16-29)33-10-8-32(9-11-33)22-6-12-36-13-7-22/h2-5,14-15,17,22H,6-13,18H2,1H3,(H,31,35)