5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-prop-2-enyl-pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-prop-2-enyl-pyrazole-4-carboxamide Openeye Name: N-allyl-5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-N-prop-2-enyl-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-prop-2-enylpyrazole-4-carboxamide Traditional Name: N-allyl-5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC=C)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC=C)C4CC4

InChI

InChI=1S/C21H21N5O2/c1-3-10-22-20(27)17-13-24-26(19(17)14-7-8-14)21-23-11-9-18(25-21)15-5-4-6-16(12-15)28-2/h3-6,9,11-14H,1,7-8,10H2,2H3,(H,22,27)