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

Systemtic Name: 4-[5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-piperazin-1-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile CAS Name: 4-[5-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C31H29N5O4S MolecularWeight: 567.65806

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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=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H29N5O4S/c1-40-19-25(37)36-28(23-10-6-21(18-33)7-11-23)27(30(38)24-3-2-16-41-24)26(22-8-4-20(17-32)5-9-22)29(36)31(39)35-14-12-34-13-15-35/h2-11,16,26-29,34H,12-15,19H2,1H3