dimethyl 2-[[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]amino]butanedioate

Systemtic Name: dimethyl 2-[[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]amino]butanedioate Openeye Name: dimethyl 2-[[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]amino]butanedioate CAS Name: 2-[[1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]amino]butanedioate Traditional Name: 2-[[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]amino]succinic acid dimethyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3

Isomeric SMILES

COC(=O)CC(C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H27N5O5/c1-31-20(28)13-18(22(30)32-2)25-16-7-11-27(12-8-16)17-5-3-15(4-6-17)26-21(29)19-14-23-9-10-24-19/h3-6,9-10,14,16,18,25H,7-8,11-13H2,1-2H3,(H,26,29)