3-phenylpropyl 3-cyano-4-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-4-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 2-(4-benzyl-1-piperidyl)-3-cyano-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-[4-(phenylmethyl)-1-piperidinyl]-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate Traditional Name: 2-(4-benzylpiperidino)-3-cyano-4-keto-quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=C3C(=O)OCCCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=C3C(=O)OCCCC5=CC=CC=C5)C#N

InChI

InChI=1S/C32H31N3O3/c33-23-27-30(34-19-16-26(17-20-34)22-25-12-5-2-6-13-25)29(28-15-7-8-18-35(28)31(27)36)32(37)38-21-9-14-24-10-3-1-4-11-24/h1-8,10-13,15,18,26H,9,14,16-17,19-22H2