3-[4-(5-butoxy-6-methoxy-cyclohexa-1,5-dien-1-yl)piperazin-1-yl]-1H-indazole

Systemtic Name: 3-[4-(5-butoxy-6-methoxy-cyclohexa-1,5-dien-1-yl)piperazin-1-yl]-1H-indazole Openeye Name: 3-[4-(5-butoxy-6-methoxy-cyclohexa-1,5-dien-1-yl)piperazin-1-yl]-1H-indazole CAS Name: 3-[4-(5-butoxy-6-methoxy-1-cyclohexa-1,5-dienyl)-1-piperazinyl]-1H-indazole IUPAC Name: 3-[4-(5-butoxy-6-methoxycyclohexa-1,5-dien-1-yl)piperazin-1-yl]-1H-indazole Traditional Name: 3-[4-(5-butoxy-6-methoxy-cyclohexa-1,5-dien-1-yl)piperazino]-1H-indazole Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CCC1)N2CCN(CC2)C3=NNC4=CC=CC=C43)OC

Isomeric SMILES

CCCCOC1=C(C(=CCC1)N2CCN(CC2)C3=NNC4=CC=CC=C43)OC

InChI

InChI=1S/C22H30N4O2/c1-3-4-16-28-20-11-7-10-19(21(20)27-2)25-12-14-26(15-13-25)22-17-8-5-6-9-18(17)23-24-22/h5-6,8-10H,3-4,7,11-16H2,1-2H3,(H,23,24)