ethyl 4-oxidanylidene-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]butanoate CAS Name: 4-oxo-4-[[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]butanoate Traditional Name: 4-keto-4-[[4-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]amino]butyric acid ethyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CCC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O3/c1-2-30-21(29)9-8-20(28)25-16-18-4-6-19(7-5-18)17-26-12-14-27(15-13-26)22-23-10-3-11-24-22/h3-7,10-11H,2,8-9,12-17H2,1H3,(H,25,28)