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

Systemtic Name: (4-tert-butylcyclohexyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (4-tert-butylcyclohexyl) 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 (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 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 (4-tert-butylcyclohexyl) ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C24H32N2O3/c1-24(2,3)17-9-11-18(12-10-17)29-23(28)16-8-13-19-20(15-16)25-21-7-5-4-6-14-26(21)22(19)27/h8,13,15,17-18H,4-7,9-12,14H2,1-3H3