2-(phenylcarbonyloxy)ethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 2-benzoyloxyethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 2-benzoyloxyethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCOC(=O)C4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCOC(=O)C4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C23H22N2O5/c26-21-18-11-10-17(15-19(18)24-20-9-5-2-6-12-25(20)21)23(28)30-14-13-29-22(27)16-7-3-1-4-8-16/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2