[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3/c35-27(22-37-29(36)26-9-6-14-30-28(26)34-15-4-5-16-34)31-24-10-12-25(13-11-24)33-19-17-32(18-20-33)21-23-7-2-1-3-8-23/h1-3,6-14H,4-5,15-22H2,(H,31,35)