3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-5,6-dimethoxy-1H-indole

Systemtic Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-5,6-dimethoxy-1H-indole Openeye Name: 3-[4-(4-chroman-6-ylpiperazin-1-yl)butyl]-5,6-dimethoxy-1H-indole CAS Name: 3-[4-[4-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-piperazinyl]butyl]-5,6-dimethoxy-1H-indole IUPAC Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-5,6-dimethoxy-1H-indole Traditional Name: 3-[4-(4-chroman-6-ylpiperazino)butyl]-5,6-dimethoxy-1H-indole Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5)OC

InChI

InChI=1S/C27H35N3O3/c1-31-26-17-23-21(19-28-24(23)18-27(26)32-2)6-3-4-10-29-11-13-30(14-12-29)22-8-9-25-20(16-22)7-5-15-33-25/h8-9,16-19,28H,3-7,10-15H2,1-2H3