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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-N-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-nicotinoyl-pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C2=CN=CC=C2)C(=O)N3CCCNCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CN=CC=C2)C(=O)N3CCCNCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H33N5O3S/c1-18(2)16-29(25(33)22-7-4-13-34-22)20-14-21(24(32)28-11-5-9-26-10-12-28)30(17-20)23(31)19-6-3-8-27-15-19/h3-4,6-8,13,15,18,20-21,26H,5,9-12,14,16-17H2,1-2H3