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

Systemtic Name: phenacyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)CC1

Isomeric SMILES

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)CC1

InChI

InChI=1S/C23H22N2O4/c26-20(16-8-4-3-5-9-16)15-29-23(28)17-11-12-18-19(14-17)24-21-10-6-1-2-7-13-25(21)22(18)27/h3-5,8-9,11-12,14H,1-2,6-7,10,13,15H2