N-[1-diazanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(4-fluoranylphenoxy)-2-(naphthalen-1-ylmethyl)butanamide

Systemtic Name: N-[1-diazanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(4-fluoranylphenoxy)-2-(naphthalen-1-ylmethyl)butanamide Openeye Name: 4-(4-fluorophenoxy)-N-[2-hydrazino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-(1-naphthylmethyl)butanamide CAS Name: 4-(4-fluorophenoxy)-N-[1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(1-naphthalenylmethyl)butanamide IUPAC Name: 4-(4-fluorophenoxy)-N-[1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)butanamide Traditional Name: 4-(4-fluorophenoxy)-N-[2-hydrazino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-(1-naphthylmethyl)butyramide Formula: C27H28FN5O3 MolecularWeight: 489.541323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CCOC3=CC=C(C=C3)F)C(=O)NC(CC4=CN=CN4)C(=O)NN

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(CCOC3=CC=C(C=C3)F)C(=O)NC(CC4=CN=CN4)C(=O)NN

InChI

InChI=1S/C27H28FN5O3/c28-21-8-10-23(11-9-21)36-13-12-20(14-19-6-3-5-18-4-1-2-7-24(18)19)26(34)32-25(27(35)33-29)15-22-16-30-17-31-22/h1-11,16-17,20,25H,12-15,29H2,(H,30,31)(H,32,34)(H,33,35)