N-[3-chloranyl-2-(4-prop-2-enylpiperazin-1-yl)phenyl]pyrimidine-2-carboxamide

Systemtic Name: N-[3-chloranyl-2-(4-prop-2-enylpiperazin-1-yl)phenyl]pyrimidine-2-carboxamide Openeye Name: N-[2-(4-allylpiperazin-1-yl)-3-chloro-phenyl]pyrimidine-2-carboxamide CAS Name: N-[3-chloro-2-(4-prop-2-enyl-1-piperazinyl)phenyl]-2-pyrimidinecarboxamide IUPAC Name: N-[3-chloro-2-(4-prop-2-enylpiperazin-1-yl)phenyl]pyrimidine-2-carboxamide Traditional Name: N-[2-(4-allylpiperazino)-3-chloro-phenyl]pyrimidine-2-carboxamide Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=NC=CC=N3

Isomeric SMILES

C=CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=NC=CC=N3

InChI

InChI=1S/C18H20ClN5O/c1-2-9-23-10-12-24(13-11-23)16-14(19)5-3-6-15(16)22-18(25)17-20-7-4-8-21-17/h2-8H,1,9-13H2,(H,22,25)