ethyl 1-[2-(azepan-1-yl)pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(azepan-1-yl)pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(azepan-1-yl)pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylate CAS Name: 1-[2-(1-azepanyl)-5-pyrido[4,3-d]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(azepan-1-yl)pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(azepan-1-yl)pyrido[4,3-d]pyrimidin-5-yl]nipecotic acid ethyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=CC3=NC(=NC=C32)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC=CC3=NC(=NC=C32)N4CCCCCC4

InChI

InChI=1S/C21H29N5O2/c1-2-28-20(27)16-8-7-13-26(15-16)19-17-14-23-21(24-18(17)9-10-22-19)25-11-5-3-4-6-12-25/h9-10,14,16H,2-8,11-13,15H2,1H3