4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-7aH-indole-2-carbonitrile

Systemtic Name: 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-7aH-indole-2-carbonitrile Openeye Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]-7aH-indole-2-carbonitrile CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-7aH-indole-2-carbonitrile IUPAC Name: 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-7aH-indole-2-carbonitrile Traditional Name: 4-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]-7aH-indole-2-carbonitrile Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3C2=CC(=N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3C2=CC(=N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,27,29,34H,14-17,20-21H2