4-[3-(2,5-dimethylfuran-3-yl)carbonyl-4-(4-methoxyphenyl)-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(2,5-dimethylfuran-3-yl)carbonyl-4-(4-methoxyphenyl)-5-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[3-[(2,5-dimethyl-3-furanyl)-oxomethyl]-4-(4-methoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[3-(2,5-dimethyl-3-furoyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)-1-(2-thenoyl)pyrrolidin-2-yl]benzonitrile Formula: C35H34N4O5S MolecularWeight: 622.73326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)N5CCNCC5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)N5CCNCC5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C35H34N4O5S/c1-21-19-27(22(2)44-21)33(40)30-29(24-10-12-26(43-3)13-11-24)32(35(42)38-16-14-37-15-17-38)39(34(41)28-5-4-18-45-28)31(30)25-8-6-23(20-36)7-9-25/h4-13,18-19,29-32,37H,14-17H2,1-3H3