2-[cyclopropyl-[2-(2,4-diethoxyphenyl)-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl]methylidene]propanedinitrile

Systemtic Name: 2-[cyclopropyl-[2-(2,4-diethoxyphenyl)-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-benzoyl-2-(2,4-diethoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl]-cyclopropyl-methylene]propanedinitrile CAS Name: 2-[[3-benzoyl-2-(2,4-diethoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl]-cyclopropylmethylidene]propanedinitrile IUPAC Name: 2-[[3-benzoyl-2-(2,4-diethoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl]-cyclopropylmethylidene]propanedinitrile Traditional Name: 2-[[3-benzoyl-2-(2,4-diethoxyphenyl)-1,2,3,10b-tetrahydropyrrol[2,1-a]isoquinolin-1-yl]-cyclopropyl-methylene]malononitrile Formula: C36H33N3O3 MolecularWeight: 555.66552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2C(C3C4=CC=CC=C4C=CN3C2C(=O)C5=CC=CC=C5)C(=C(C#N)C#N)C6CC6)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2C(C3C4=CC=CC=C4C=CN3C2C(=O)C5=CC=CC=C5)C(=C(C#N)C#N)C6CC6)OCC

InChI

InChI=1S/C36H33N3O3/c1-3-41-27-16-17-29(30(20-27)42-4-2)32-33(31(24-14-15-24)26(21-37)22-38)34-28-13-9-8-10-23(28)18-19-39(34)35(32)36(40)25-11-6-5-7-12-25/h5-13,16-20,24,32-35H,3-4,14-15H2,1-2H3