ethyl 2,6-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonylamino]pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]nicotinic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-4-28-20(26)18-14-19(16(3)22-15(18)2)23-21(27)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3,(H,23,27)