ethyl 6-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate CAS Name: 6-[[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate Traditional Name: 6-[[4-[(4-ethylpiperazino)methyl]benzyl]amino]nicotinic acid ethyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H30N4O2/c1-3-25-11-13-26(14-12-25)17-19-7-5-18(6-8-19)15-23-21-10-9-20(16-24-21)22(27)28-4-2/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,23,24)