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

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-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-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 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-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C23H29N3O4/c1-25(17-8-4-2-5-9-17)21(27)15-30-23(29)16-11-12-18-19(14-16)24-20-10-6-3-7-13-26(20)22(18)28/h11-12,14,17H,2-10,13,15H2,1H3