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

Systemtic Name: naphthalen-1-yl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 1-naphthyl 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-naphthalenyl ester IUPAC Name: naphthalen-1-yl 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-naphthyl ester Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC5=CC=CC=C54)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC5=CC=CC=C54)C(=O)N2CC1

InChI

InChI=1S/C24H20N2O3/c27-23-19-13-12-17(15-20(19)25-22-11-2-1-5-14-26(22)23)24(28)29-21-10-6-8-16-7-3-4-9-18(16)21/h3-4,6-10,12-13,15H,1-2,5,11,14H2