2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-N-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]ethanamide

Systemtic Name: 2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-N-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]ethanamide Openeye Name: 2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-N-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl]acetamide CAS Name: 2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]-N-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl]acetamide IUPAC Name: 2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]-N-[(3-methyl-4-oxo-2-phenylchromen-8-yl)methyl]acetamide Traditional Name: 2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-N-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)methyl]acetamide Formula: C36H41N3O5 MolecularWeight: 595.72784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CNC(=O)CN(C)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CNC(=O)CN(C)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C36H41N3O5/c1-24(2)36(23-37,28-16-17-30(42-5)31(20-28)43-6)18-11-19-39(4)22-32(40)38-21-27-14-10-15-29-33(41)25(3)34(44-35(27)29)26-12-8-7-9-13-26/h7-10,12-17,20,24H,11,18-19,21-22H2,1-6H3,(H,38,40)