N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-phenethylthiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-nicotinoyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H33N5O3S/c35-27(23-9-4-12-31-20-23)34-21-24(19-25(34)28(36)32-15-6-13-30-14-17-32)33(29(37)26-10-5-18-38-26)16-11-22-7-2-1-3-8-22/h1-5,7-10,12,18,20,24-25,30H,6,11,13-17,19,21H2