ethyl 8-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 8-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 8-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 8-[(2,3-dimethyl-1-oxopentyl)amino]-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(2,3-dimethylpentanoylamino)-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 8-(2,3-dimethylpentanoylamino)-4-keto-pyrimid[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=CC=CC2=C1C=CN3C2=NC=C(C3=O)C(=O)OCC

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=CC=CC2=C1C=CN3C2=NC=C(C3=O)C(=O)OCC

InChI

InChI=1S/C22H25N3O4/c1-5-13(3)14(4)20(26)24-18-9-7-8-16-15(18)10-11-25-19(16)23-12-17(21(25)27)22(28)29-6-2/h7-14H,5-6H2,1-4H3,(H,24,26)