3-[4-oxidanylidene-4-[3-(phenylmethyl)piperidin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-oxidanylidene-4-[3-(phenylmethyl)piperidin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-(3-benzyl-1-piperidyl)-4-oxo-butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-oxo-4-[3-(phenylmethyl)-1-piperidinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-(3-benzylpiperidin-1-yl)-4-oxobutyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-(3-benzylpiperidino)-4-keto-butyl]-1H-indole-5-carbonitrile Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCC2=CNC3=C2C=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCC2=CNC3=C2C=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c26-16-20-11-12-24-23(15-20)22(17-27-24)9-4-10-25(29)28-13-5-8-21(18-28)14-19-6-2-1-3-7-19/h1-3,6-7,11-12,15,17,21,27H,4-5,8-10,13-14,18H2