N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-8-ethoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-8-ethoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-8-ethoxy-2-oxo-chromene-3-carboxamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-8-ethoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-8-ethoxy-2-oxochromene-3-carboxamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-8-ethoxy-2-keto-chromene-3-carboxamide Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C28H28N4O4/c1-2-35-24-9-7-8-20-18-22(28(34)36-26(20)24)27(33)29-21-12-10-19(11-13-21)23-14-15-25(31-30-23)32-16-5-3-4-6-17-32/h7-15,18H,2-6,16-17H2,1H3,(H,29,33)