pyridin-2-ylmethyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Openeye Name: 2-pyridylmethyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate CAS Name: 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Traditional Name: 13-keto-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid 2-pyridylmethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC4=CC=CC=N4)CC1

Isomeric SMILES

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC4=CC=CC=N4)CC1

InChI

InChI=1S/C21H21N3O3/c25-20-17-10-9-15(21(26)27-14-16-7-4-5-11-22-16)13-18(17)23-19-8-3-1-2-6-12-24(19)20/h4-5,7,9-11,13H,1-3,6,8,12,14H2