naphthalen-1-ylmethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 1-naphthylmethyl 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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 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 1-naphthylmethyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC5=CC=CC=C54)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC5=CC=CC=C54)C(=O)N2CC1

InChI

InChI=1S/C25H22N2O3/c28-24-21-13-12-18(15-22(21)26-23-11-2-1-5-14-27(23)24)25(29)30-16-19-9-6-8-17-7-3-4-10-20(17)19/h3-4,6-10,12-13,15H,1-2,5,11,14,16H2