(phenylmethyl) 3-azanyl-3-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-3-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazine-2-carboxylate Openeye Name: benzyl 3-amino-3-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazine-2-carboxylate CAS Name: 3-amino-3-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-4-propyl-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-3-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propylpiperazine-2-carboxylate Traditional Name: 3-amino-3-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazine-2-carboxylic acid benzyl ester Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C(C1(C2=CNC3=CC=CC=C32)N)C(=O)OCC4=CC=CC=C4)C5=NC=NC=C5OC

Isomeric SMILES

CCCN1CCN(C(C1(C2=CNC3=CC=CC=C32)N)C(=O)OCC4=CC=CC=C4)C5=NC=NC=C5OC

InChI

InChI=1S/C28H32N6O3/c1-3-13-33-14-15-34(26-24(36-2)17-30-19-32-26)25(27(35)37-18-20-9-5-4-6-10-20)28(33,29)22-16-31-23-12-8-7-11-21(22)23/h4-12,16-17,19,25,31H,3,13-15,18,29H2,1-2H3