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

Systemtic Name: 2-(3-methylphenoxy)ethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 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-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 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-(3-methylphenoxy)ethyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C23H24N2O4/c1-16-6-5-7-18(14-16)28-12-13-29-23(27)17-9-10-19-20(15-17)24-21-8-3-2-4-11-25(21)22(19)26/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3