1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-carboxamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C27H25N5O4/c1-34-20-4-2-3-17(13-20)9-11-28-26(33)21-15-30-32(25(21)18-5-6-18)27-29-12-10-22(31-27)19-7-8-23-24(14-19)36-16-35-23/h2-4,7-8,10,12-15,18H,5-6,9,11,16H2,1H3,(H,28,33)