3,3-dimethyl-N-(5-piperazin-1-ylcarbonyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 3,3-dimethyl-N-(5-piperazin-1-ylcarbonyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(2-thienylmethyl)butanamide CAS Name: 3,3-dimethyl-N-[5-[oxo(1-piperazinyl)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 3,3-dimethyl-N-[1-nicotinoyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-thenyl)butyramide Formula: C26H35N5O3S MolecularWeight: 497.6528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C26H35N5O3S/c1-26(2,3)15-23(32)30(18-21-7-5-13-35-21)20-14-22(25(34)29-11-9-27-10-12-29)31(17-20)24(33)19-6-4-8-28-16-19/h4-8,13,16,20,22,27H,9-12,14-15,17-18H2,1-3H3