N-[4-(cyclopropylamino)-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(1-isocyanocyclopentyl)-5-oxidanyl-benzamide

Systemtic Name: N-[4-(cyclopropylamino)-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(1-isocyanocyclopentyl)-5-oxidanyl-benzamide Openeye Name: N-[1-benzyl-3-(cyclopropylamino)-2-oxo-propyl]-3-hydroxy-5-(1-isocyanocyclopentyl)benzamide CAS Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-hydroxy-5-(1-isocyanocyclopentyl)benzamide IUPAC Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-hydroxy-5-(1-isocyanocyclopentyl)benzamide Traditional Name: N-[1-benzyl-3-(cyclopropylamino)-2-keto-propyl]-3-hydroxy-5-(1-isocyanocyclopentyl)benzamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1(CCCC1)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)CNC4CC4)O

Isomeric SMILES

[C-]#[N+]C1(CCCC1)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)CNC4CC4)O

InChI

InChI=1S/C26H29N3O3/c1-27-26(11-5-6-12-26)20-14-19(15-22(30)16-20)25(32)29-23(13-18-7-3-2-4-8-18)24(31)17-28-21-9-10-21/h2-4,7-8,14-16,21,23,28,30H,5-6,9-13,17H2,(H,29,32)