3-phenylpropyl 3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-[4-(2-hydroxyethyl)-1-piperazinyl]-4-oxo-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-2-[4-(2-hydroxyethyl)piperazino]-4-keto-quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=O)N3C=CC=CC3=C2C(=O)OCCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H28N4O4/c27-19-21-24(29-14-12-28(13-15-29)16-17-31)23(22-10-4-5-11-30(22)25(21)32)26(33)34-18-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,31H,6,9,12-18H2