6-[4-[4-[5-(hydroxymethyl)-1H-indol-3-yl]butyl]piperazin-1-yl]chromen-4-one

Systemtic Name: 6-[4-[4-[5-(hydroxymethyl)-1H-indol-3-yl]butyl]piperazin-1-yl]chromen-4-one Openeye Name: 6-[4-[4-[5-(hydroxymethyl)-1H-indol-3-yl]butyl]piperazin-1-yl]chromen-4-one CAS Name: 6-[4-[4-[5-(hydroxymethyl)-1H-indol-3-yl]butyl]-1-piperazinyl]-1-benzopyran-4-one IUPAC Name: 6-[4-[4-[5-(hydroxymethyl)-1H-indol-3-yl]butyl]piperazin-1-yl]chromen-4-one Traditional Name: 6-[4-[4-(5-methylol-1H-indol-3-yl)butyl]piperazino]chromone Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)CO)C4=CC5=C(C=C4)OC=CC5=O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)CO)C4=CC5=C(C=C4)OC=CC5=O

InChI

InChI=1S/C26H29N3O3/c30-18-19-4-6-24-22(15-19)20(17-27-24)3-1-2-9-28-10-12-29(13-11-28)21-5-7-26-23(16-21)25(31)8-14-32-26/h4-8,14-17,27,30H,1-3,9-13,18H2