2-(pyridin-3-ylcarbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 10-[(2,3-dimethyl-1-oxopentyl)amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 10-(2,3-dimethylpentanoylamino)-4-keto-7-methyl-pyrimid[2,1-a]isoquinoline-3-carboxylic acid 2-nicotinamidoethyl ester Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C(=CN3C2=NC=C(C3=O)C(=O)OCCNC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C(=CN3C2=NC=C(C3=O)C(=O)OCCNC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C29H31N5O5/c1-5-17(2)19(4)26(35)33-21-8-9-22-18(3)16-34-25(23(22)13-21)32-15-24(28(34)37)29(38)39-12-11-31-27(36)20-7-6-10-30-14-20/h6-10,13-17,19H,5,11-12H2,1-4H3,(H,31,36)(H,33,35)