1-oxidanylidene-2-propyl-N-prop-2-ynyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 1-oxidanylidene-2-propyl-N-prop-2-ynyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 1-oxo-2-propyl-N-prop-2-ynyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 1-oxo-2-propyl-N-prop-2-ynyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 1-oxo-2-propyl-N-prop-2-ynyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-N-propargyl-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC#C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC#C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H28N2O5/c1-6-12-26-24(28)21-17-10-8-9-11-18(17)25(29)27(13-7-2)22(21)16-14-19(30-3)23(32-5)20(15-16)31-4/h1,8-11,14-15,21-22H,7,12-13H2,2-5H3,(H,26,28)