3-[[4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-yl]amino]propan-1-ol Openeye Name: 3-[[4-[1-[2-(1H-indol-3-yl)ethyl]-3-piperidyl]pyrimidin-2-yl]amino]propan-1-ol CAS Name: 3-[[4-[1-[2-(1H-indol-3-yl)ethyl]-3-piperidinyl]-2-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-yl]amino]propan-1-ol Traditional Name: 3-[[4-[1-[2-(1H-indol-3-yl)ethyl]-3-piperidyl]pyrimidin-2-yl]amino]propan-1-ol Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CNC3=CC=CC=C32)C4=NC(=NC=C4)NCCCO

Isomeric SMILES

C1CC(CN(C1)CCC2=CNC3=CC=CC=C32)C4=NC(=NC=C4)NCCCO

InChI

InChI=1S/C22H29N5O/c28-14-4-10-23-22-24-11-8-20(26-22)18-5-3-12-27(16-18)13-9-17-15-25-21-7-2-1-6-19(17)21/h1-2,6-8,11,15,18,25,28H,3-5,9-10,12-14,16H2,(H,23,24,26)