2-(4-chloranylbutanoyl)-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carbonitrile

Systemtic Name: 2-(4-chloranylbutanoyl)-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carbonitrile Openeye Name: 9-benzyl-2-(4-chlorobutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carbonitrile CAS Name: 2-(4-chloro-1-oxobutyl)-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carbonitrile IUPAC Name: 9-benzyl-2-(4-chlorobutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carbonitrile Traditional Name: 9-benzyl-2-(4-chlorobutanoyl)-3,4-dihydro-1H-$b-carboline-1-carbonitrile Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2CC4=CC=CC=C4)C#N)C(=O)CCCCl

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2CC4=CC=CC=C4)C#N)C(=O)CCCCl

InChI

InChI=1S/C23H22ClN3O/c24-13-6-11-22(28)26-14-12-19-18-9-4-5-10-20(18)27(23(19)21(26)15-25)16-17-7-2-1-3-8-17/h1-5,7-10,21H,6,11-14,16H2