ethyl 6-[4-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-(cyclopropylcarbamoylamino)-2-keto-ethyl]piperazino]nicotinic acid ethyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CC(=O)NC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H25N5O4/c1-2-27-17(25)13-3-6-15(19-11-13)23-9-7-22(8-10-23)12-16(24)21-18(26)20-14-4-5-14/h3,6,11,14H,2,4-5,7-10,12H2,1H3,(H2,20,21,24,26)