3-phenylpropyl 3-cyano-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-4-oxo-quinoline-1-carboxylate CAS Name: 3-cyano-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-1-quinolinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-4-oxoquinoline-1-carboxylate Traditional Name: 3-cyano-4-keto-2-[4-(2-keto-2-morpholino-ethyl)piperazino]quinoline-1-carboxylic acid 3-phenylpropyl ester Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C(=O)C4=CC=CC=C4N3C(=O)OCCCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C(=O)C4=CC=CC=C4N3C(=O)OCCCC5=CC=CC=C5)C#N

InChI

InChI=1S/C30H33N5O5/c31-21-25-28(37)24-10-4-5-11-26(24)35(30(38)40-18-6-9-23-7-2-1-3-8-23)29(25)34-14-12-32(13-15-34)22-27(36)33-16-19-39-20-17-33/h1-5,7-8,10-11H,6,9,12-20,22H2