4-[1-(2-methoxyethanoyl)-5-phenyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(2-methoxyethanoyl)-5-phenyl-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 4-[1-(2-methoxyacetyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile CAS Name: 4-[1-(2-methoxy-1-oxoethyl)-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-phenyl-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(2-methoxyacetyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[1-(2-methoxyacetyl)-5-phenyl-2-(piperazine-1-carbonyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C30H30N4O4S MolecularWeight: 542.6486

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O4S/c1-38-19-24(35)34-27(22-6-3-2-4-7-22)26(29(36)23-8-5-17-39-23)25(21-11-9-20(18-31)10-12-21)28(34)30(37)33-15-13-32-14-16-33/h2-12,17,25-28,32H,13-16,19H2,1H3