N-(2-aminophenyl)-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

Systemtic Name: N-(2-aminophenyl)-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide Openeye Name: N-(2-aminophenyl)-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carboxamide CAS Name: N-(2-aminophenyl)-2-[4-[[(1-methyl-3-indolyl)methylamino]methyl]-1-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N-(2-aminophenyl)-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide Traditional Name: N-(2-aminophenyl)-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidino]pyrimidine-5-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C27H31N7O/c1-33-18-21(22-6-2-5-9-25(22)33)15-29-14-19-10-12-34(13-11-19)27-30-16-20(17-31-27)26(35)32-24-8-4-3-7-23(24)28/h2-9,16-19,29H,10-15,28H2,1H3,(H,32,35)