3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-piperidin-1-ylethylamino)quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-4-oxidanylidene-2-(2-piperidin-1-ylethylamino)quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-4-oxo-2-[2-(1-piperidyl)ethylamino]quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-[2-(1-piperidinyl)ethylamino]-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-4-oxo-2-(2-piperidin-1-ylethylamino)quinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(2-piperidinoethylamino)quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H30N4O3/c28-20-22-25(29-14-18-30-15-6-2-7-16-30)24(23-13-5-8-17-31(23)26(22)32)27(33)34-19-9-12-21-10-3-1-4-11-21/h1,3-5,8,10-11,13,17,29H,2,6-7,9,12,14-16,18-19H2