1-[5-(4-chlorophenyl)carbonyl-1,2,4-trimethyl-pyrrol-3-yl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one

Systemtic Name: 1-[5-(4-chlorophenyl)carbonyl-1,2,4-trimethyl-pyrrol-3-yl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Openeye Name: 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-pyrrol-3-yl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one CAS Name: 1-[5-[(4-chlorophenyl)-oxomethyl]-1,2,4-trimethyl-3-pyrrolyl]-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Traditional Name: 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-pyrrol-3-yl]-5-[4-(2-pyrimidyl)piperazino]pentan-1-one Formula: C27H32ClN5O2 MolecularWeight: 494.02828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)CCCCN2CCN(CC2)C3=NC=CC=N3)C)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N(C(=C1C(=O)CCCCN2CCN(CC2)C3=NC=CC=N3)C)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H32ClN5O2/c1-19-24(20(2)31(3)25(19)26(35)21-8-10-22(28)11-9-21)23(34)7-4-5-14-32-15-17-33(18-16-32)27-29-12-6-13-30-27/h6,8-13H,4-5,7,14-18H2,1-3H3