4-oxa-1-azabicyclo[3.1.1]heptan-6-one; 3-phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 4-oxa-1-azabicyclo[3.1.1]heptan-6-one; 3-phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 4-oxa-1-azabicyclo[3.1.1]heptan-6-one; 3-phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(4-methyl-1-piperazinyl)-4-oxo-1-quinolizinecarboxylic acid 3-phenylpropyl ester; 4-oxa-1-azabicyclo[3.1.1]heptan-6-one IUPAC Name: 4-oxa-1-azabicyclo[3.1.1]heptan-6-one; 3-phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(4-methylpiperazino)quinolizine-1-carboxylic acid 3-phenylpropyl ester; 4-oxa-1-azabicyclo[3.1.1]heptan-6-one Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N.C1COC2CN1C2=O

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N.C1COC2CN1C2=O

InChI

InChI=1S/C25H26N4O3.C5H7NO2/c1-27-13-15-28(16-14-27)23-20(18-26)24(30)29-12-6-5-11-21(29)22(23)25(31)32-17-7-10-19-8-3-2-4-9-19;7-5-4-3-6(5)1-2-8-4/h2-6,8-9,11-12H,7,10,13-17H2,1H3;4H,1-3H2