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

Systemtic Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-5-(methoxymethyl)-1H-indole Openeye Name: 3-[4-(4-chroman-6-ylpiperazin-1-yl)butyl]-5-(methoxymethyl)-1H-indole CAS Name: 3-[4-[4-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-piperazinyl]butyl]-5-(methoxymethyl)-1H-indole IUPAC Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-5-(methoxymethyl)-1H-indole Traditional Name: 3-[4-(4-chroman-6-ylpiperazino)butyl]-5-(methoxymethyl)-1H-indole Formula: C27H35N3O2 MolecularWeight: 433.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5

Isomeric SMILES

COCC1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5

InChI

InChI=1S/C27H35N3O2/c1-31-20-21-7-9-26-25(17-21)23(19-28-26)5-2-3-11-29-12-14-30(15-13-29)24-8-10-27-22(18-24)6-4-16-32-27/h7-10,17-19,28H,2-6,11-16,20H2,1H3