4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]piperazine-1-carbaldehyde Formula: C23H22N6O4 MolecularWeight: 446.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)N6CCN(CC6)C=O

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)N6CCN(CC6)C=O

InChI

InChI=1S/C23H22N6O4/c30-13-27-7-9-28(10-8-27)22(31)17-12-25-29(21(17)15-1-2-15)23-24-6-5-18(26-23)16-3-4-19-20(11-16)33-14-32-19/h3-6,11-13,15H,1-2,7-10,14H2