ethyl 4-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H22ClN5O2/c1-2-28-20(27)26-9-7-13(8-10-26)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17/h3-6,11-13,22H,2,7-10H2,1H3,(H,23,24,25)