N-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-prop-2-ynyl-piperidin-4-amine

Systemtic Name: N-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-prop-2-ynyl-piperidin-4-amine Openeye Name: N-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-prop-2-ynyl-piperidin-4-amine CAS Name: N-[5-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]-1-prop-2-ynyl-4-piperidinamine IUPAC Name: N-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-prop-2-ynylpiperidin-4-amine Traditional Name: [5-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-3-yl]-(1-propargyl-4-piperidyl)amine Formula: C21H21ClN6 MolecularWeight: 392.88464

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)NC2=NNC(=C2C3=NC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C#CCN1CCC(CC1)NC2=NNC(=C2C3=NC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6/c1-2-11-28-12-8-17(9-13-28)25-21-19(18-7-10-23-14-24-18)20(26-27-21)15-3-5-16(22)6-4-15/h1,3-7,10,14,17H,8-9,11-13H2,(H2,25,26,27)