N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-(sec-butylamino)ethyl]isoquinoline-4-carboxamide CAS Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-N-[2-keto-2-(sec-butylamino)ethyl]-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC

Isomeric SMILES

CCC(C)NC(=O)CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC

InChI

InChI=1S/C23H25N3O4/c1-4-15(2)25-21(27)13-24-22(28)18-14-26(19-11-7-8-12-20(19)30-3)23(29)17-10-6-5-9-16(17)18/h5-12,14-15H,4,13H2,1-3H3,(H,24,28)(H,25,27)