3-[(5-chloranylpyridin-2-yl)carbamoyl]-1-hexyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(5-chloranylpyridin-2-yl)carbamoyl]-1-hexyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-1-hexyl-4-oxo-quinolin-2-olate CAS Name: 3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-hexyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(5-chloropyridin-2-yl)carbamoyl]-1-hexyl-4-oxoquinolin-2-olate Traditional Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-1-hexyl-4-keto-quinolin-2-olate Formula: C21H21ClN3O3- MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-2-3-4-7-12-25-16-9-6-5-8-15(16)19(26)18(21(25)28)20(27)24-17-11-10-14(22)13-23-17/h5-6,8-11,13,28H,2-4,7,12H2,1H3,(H,23,24,27)/p-1