N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-N-phenethylcyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-phenethylcyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)C(=O)C5CC5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)C(=O)C5CC5

InChI

InChI=1S/C27H34N4O3S/c32-25(21-9-10-21)30(15-11-20-6-2-1-3-7-20)22-18-23(26(33)29-14-5-12-28-13-16-29)31(19-22)27(34)24-8-4-17-35-24/h1-4,6-8,17,21-23,28H,5,9-16,18-19H2