2-(4-chloranylbutanoyl)-5,11-dimethyl-6-(phenylmethyl)-1H-pyrido[4,3-b]carbazole-1-carbonitrile

Systemtic Name: 2-(4-chloranylbutanoyl)-5,11-dimethyl-6-(phenylmethyl)-1H-pyrido[4,3-b]carbazole-1-carbonitrile Openeye Name: 6-benzyl-2-(4-chlorobutanoyl)-5,11-dimethyl-1H-pyrido[4,3-b]carbazole-1-carbonitrile CAS Name: 2-(4-chloro-1-oxobutyl)-5,11-dimethyl-6-(phenylmethyl)-1H-pyrido[4,3-b]carbazole-1-carbonitrile IUPAC Name: 6-benzyl-2-(4-chlorobutanoyl)-5,11-dimethyl-1H-pyrido[4,3-b]carbazole-1-carbonitrile Traditional Name: 6-benzyl-2-(4-chlorobutanoyl)-5,11-dimethyl-1H-pyrido[4,3-b]carbazole-1-carbonitrile Formula: C29H26ClN3O MolecularWeight: 467.98924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=CN(C3C#N)C(=O)CCCCl)C)C4=CC=CC=C4N2CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C3=C1C=CN(C3C#N)C(=O)CCCCl)C)C4=CC=CC=C4N2CC5=CC=CC=C5

InChI

InChI=1S/C29H26ClN3O/c1-19-22-14-16-32(26(34)13-8-15-30)25(17-31)27(22)20(2)28-23-11-6-7-12-24(23)33(29(19)28)18-21-9-4-3-5-10-21/h3-7,9-12,14,16,25H,8,13,15,18H2,1-2H3