2-[[3-chloranyl-4-(diethylamino)phenyl]diazenyl]-3-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 2-[[3-chloranyl-4-(diethylamino)phenyl]diazenyl]-3-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[3-chloro-4-(diethylamino)phenyl]azo-3-oxo-butanamide CAS Name: 2-[3-chloro-4-(diethylamino)phenyl]azo-3-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[[3-chloro-4-(diethylamino)phenyl]diazenyl]-3-oxobutanamide Traditional Name: N-benzyl-2-[3-chloro-4-(diethylamino)phenyl]azo-3-keto-butyramide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)N=NC(C(=O)C)C(=O)NCC2=CC=CC=C2)Cl

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)N=NC(C(=O)C)C(=O)NCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-4-26(5-2)19-12-11-17(13-18(19)22)24-25-20(15(3)27)21(28)23-14-16-9-7-6-8-10-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,28)