N-[1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butanediamide

Systemtic Name: N-[1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butanediamide Openeye Name: 2-[[4-(dimethylamino)-2-(1-naphthylmethyl)-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl azide CAS Name: N-[1-azido-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N',N'-dimethyl-2-(1-naphthalenylmethyl)butanediamide IUPAC Name: 2-[[4-(dimethylamino)-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl azide Traditional Name: N-[2-azido-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-N',N'-dimethyl-2-(1-naphthylmethyl)succinamide Formula: C23H25N7O3 MolecularWeight: 447.4897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(CC3=CN=CN3)C(=O)N=[N+]=[N-]

Isomeric SMILES

CN(C)C(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(CC3=CN=CN3)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C23H25N7O3/c1-30(2)21(31)11-17(10-16-8-5-7-15-6-3-4-9-19(15)16)22(32)27-20(23(33)28-29-24)12-18-13-25-14-26-18/h3-9,13-14,17,20H,10-12H2,1-2H3,(H,25,26)(H,27,32)