N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-cyclopentyl-N-(2-furylmethyl)-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-cyclopentyl-N-(2-furanylmethyl)-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-cyclopentyl-N-(2-furfuryl)-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N(CC4=CC=CO4)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N(CC4=CC=CO4)C5CCCC5

InChI

InChI=1S/C27H26N2O4/c1-32-21-14-12-20(13-15-21)29-18-25(23-10-4-5-11-24(23)26(29)30)27(31)28(19-7-2-3-8-19)17-22-9-6-16-33-22/h4-6,9-16,18-19H,2-3,7-8,17H2,1H3