4-[3-(4-cyanophenyl)carbonyl-4-(3,4-dimethoxyphenyl)-1-(2-methoxyethanoyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-cyanophenyl)carbonyl-4-(3,4-dimethoxyphenyl)-1-(2-methoxyethanoyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-cyanobenzoyl)-4-(3,4-dimethoxyphenyl)-1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[3-[(4-cyanophenyl)-oxomethyl]-4-(3,4-dimethoxyphenyl)-1-(2-methoxy-1-oxoethyl)-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[3-(4-cyanobenzoyl)-4-(3,4-dimethoxyphenyl)-1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[3-(4-cyanobenzoyl)-4-(3,4-dimethoxyphenyl)-1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C35H35N5O6 MolecularWeight: 621.6823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C35H35N5O6/c1-44-21-29(41)40-32(24-8-4-22(19-36)5-9-24)31(34(42)25-10-6-23(20-37)7-11-25)30(26-12-13-27(45-2)28(18-26)46-3)33(40)35(43)39-16-14-38-15-17-39/h4-13,18,30-33,38H,14-17,21H2,1-3H3