N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-thienylmethyl)butanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-nicotinoyl-pyrrolidin-3-yl]-3,3-dimethyl-N-(2-thenyl)butyramide Formula: C27H37N5O3S MolecularWeight: 511.67938

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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)N4CCCNCC4

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H37N5O3S/c1-27(2,3)16-24(33)31(19-22-8-5-14-36-22)21-15-23(26(35)30-12-6-10-28-11-13-30)32(18-21)25(34)20-7-4-9-29-17-20/h4-5,7-9,14,17,21,23,28H,6,10-13,15-16,18-19H2,1-3H3