aminocarbonyl 2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]pyridine-3-carboxylate

Systemtic Name: aminocarbonyl 2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]pyridine-3-carboxylate Openeye Name: carbamoyl 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]pyridine-3-carboxylate CAS Name: 2-[3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]-3-pyridinecarboxylic acid carbamoyl ester IUPAC Name: carbamoyl 2-[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]pyridine-3-carboxylate Traditional Name: 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]nicotinic acid carbamoyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(C=CC=N1)C(=O)OC(=O)N)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=C(C=CC=N1)C(=O)OC(=O)N)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-15(2)18(19-17(9-6-10-24-19)21(28)30-22(23)29)20(27)26-13-11-25(12-14-26)16-7-4-3-5-8-16/h3-10,15,18H,11-14H2,1-2H3,(H2,23,29)