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

Systemtic Name: 4-[1-(2-methoxyethanoyl)-2-piperazin-1-ylcarbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 4-[1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-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-(3-pyridinyl)-3-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidin-3-yl]benzonitrile Traditional Name: 4-[1-(2-methoxyacetyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-4-(2-thenoyl)pyrrolidin-3-yl]benzonitrile Formula: C29H29N5O4S MolecularWeight: 543.63666

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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=CN=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=CN=CC=C5

InChI

InChI=1S/C29H29N5O4S/c1-38-18-23(35)34-26(21-4-2-10-32-17-21)25(28(36)22-5-3-15-39-22)24(20-8-6-19(16-30)7-9-20)27(34)29(37)33-13-11-31-12-14-33/h2-10,15,17,24-27,31H,11-14,18H2,1H3