[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H23N5O/c1-16-4-5-17(2)26(16)19-8-6-18(7-9-19)20(27)24-12-14-25(15-13-24)21-22-10-3-11-23-21/h3-11H,12-15H2,1-2H3