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

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 10-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 10-[(2,3-dimethyl-1-oxopentyl)amino]-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)-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 10-(2,3-dimethylpentanoylamino)-4-keto-pyrimid[2,1-a]isoquinoline-3-carboxylic acid 2-nicotinamidoethyl ester Formula: C28H29N5O5 MolecularWeight: 515.56036

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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

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

InChI

InChI=1S/C28H29N5O5/c1-4-17(2)18(3)25(34)32-21-8-7-19-9-12-33-24(22(19)14-21)31-16-23(27(33)36)28(37)38-13-11-30-26(35)20-6-5-10-29-15-20/h5-10,12,14-18H,4,11,13H2,1-3H3,(H,30,35)(H,32,34)