N-[4-[(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxidanylidene-10H-acridine-4-carboxamide

Systemtic Name: N-[4-[(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxidanylidene-10H-acridine-4-carboxamide Openeye Name: N-[4-[(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxo-10H-acridine-4-carboxamide CAS Name: N-[4-[(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxo-10H-acridine-4-carboxamide IUPAC Name: N-[4-[(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxo-10H-acridine-4-carboxamide Traditional Name: N-[4-[(E)-4-(homoveratrylamino)but-2-enyl]phenyl]-9-keto-10H-acridine-4-carboxamide Formula: C34H33N3O4 MolecularWeight: 547.64352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC=CCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC/C=C/CC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C34H33N3O4/c1-40-30-18-15-24(22-31(30)41-2)19-21-35-20-6-5-8-23-13-16-25(17-14-23)36-34(39)28-11-7-10-27-32(28)37-29-12-4-3-9-26(29)33(27)38/h3-7,9-18,22,35H,8,19-21H2,1-2H3,(H,36,39)(H,37,38)/b6-5+