2,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-phenyl-pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-phenyl-pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-phenyl-pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-phenyl-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1-phenylpyrrole-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H23N5O2/c1-15-12-19(16(2)27(15)18-6-4-3-5-7-18)22(29)25-17-8-9-20(24-13-17)26-11-10-23-21(28)14-26/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,28)(H,25,29)