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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=CC3=NC(=NC=C32)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=CC3=NC(=NC=C32)N4CCCCCC4

InChI

InChI=1S/C21H29N5O2/c1-2-28-20(27)16-8-13-25(14-9-16)19-17-15-23-21(24-18(17)7-10-22-19)26-11-5-3-4-6-12-26/h7,10,15-16H,2-6,8-9,11-14H2,1H3