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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-N-phenethylcyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-phenethylcyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-nicotinoyl-pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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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)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O3/c34-26(22-9-10-22)32(16-11-21-6-2-1-3-7-21)24-18-25(28(36)31-15-5-13-29-14-17-31)33(20-24)27(35)23-8-4-12-30-19-23/h1-4,6-8,12,19,22,24-25,29H,5,9-11,13-18,20H2