methyl 3-[4-(1-azidoethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate

Systemtic Name: methyl 3-[4-(1-azidoethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-(1-azidoethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-(1-azidoethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylic acid methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC(=C32)C(=O)OC)C(=O)N(C)C)N=[N+]=[N-]

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC(=C32)C(=O)OC)C(=O)N(C)C)N=[N+]=[N-]

InChI

InChI=1S/C22H21N5O4/c1-13(24-25-23)14-8-10-15(11-9-14)20(28)17-12-27(22(30)26(2)3)18-7-5-6-16(19(17)18)21(29)31-4/h5-13H,1-4H3