2-[(4-chloranylphenoxy)methyl]-1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indole

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indole Openeye Name: 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indole CAS Name: 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]indole IUPAC Name: 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indole Traditional Name: 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[[4-(2-pyrimidyl)piperazino]methyl]indole Formula: C25H26ClN5O MolecularWeight: 447.95984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1COC3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1COC3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H26ClN5O/c1-29-23-6-3-2-5-21(23)22(24(29)18-32-20-9-7-19(26)8-10-20)17-30-13-15-31(16-14-30)25-27-11-4-12-28-25/h2-12H,13-18H2,1H3