[3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-chlorophenyl)-5-ethyl-1-methyl-2-indolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-chlorophenyl)-5-ethyl-1-methylindol-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H26ClN5O MolecularWeight: 459.97054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C26H26ClN5O/c1-3-18-5-10-22-21(17-18)23(19-6-8-20(27)9-7-19)24(30(22)2)25(33)31-13-15-32(16-14-31)26-28-11-4-12-29-26/h4-12,17H,3,13-16H2,1-2H3