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

Systemtic Name: N-[4-(cyclopropylamino)-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(1-isocyanocyclopentyl)-5-[(2-methylcyclopropyl)methoxy]benzamide Openeye Name: N-[1-benzyl-3-(cyclopropylamino)-2-oxo-propyl]-3-(1-isocyanocyclopentyl)-5-[(2-methylcyclopropyl)methoxy]benzamide CAS Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-(1-isocyanocyclopentyl)-5-[(2-methylcyclopropyl)methoxy]benzamide IUPAC Name: N-[4-(cyclopropylamino)-3-oxo-1-phenylbutan-2-yl]-3-(1-isocyanocyclopentyl)-5-[(2-methylcyclopropyl)methoxy]benzamide Traditional Name: N-[1-benzyl-3-(cyclopropylamino)-2-keto-propyl]-3-(1-isocyanocyclopentyl)-5-[(2-methylcyclopropyl)methoxy]benzamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1COC2=CC(=CC(=C2)C3(CCCC3)[N+]#[C-])C(=O)NC(CC4=CC=CC=C4)C(=O)CNC5CC5

Isomeric SMILES

CC1CC1COC2=CC(=CC(=C2)C3(CCCC3)[N+]#[C-])C(=O)NC(CC4=CC=CC=C4)C(=O)CNC5CC5

InChI

InChI=1S/C31H37N3O3/c1-21-14-24(21)20-37-27-17-23(16-25(18-27)31(32-2)12-6-7-13-31)30(36)34-28(15-22-8-4-3-5-9-22)29(35)19-33-26-10-11-26/h3-5,8-9,16-18,21,24,26,28,33H,6-7,10-15,19-20H2,1H3,(H,34,36)