3-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole

Systemtic Name: 3-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole Openeye Name: 3-[4-[4-(3-pyridylmethyl)piperazin-1-yl]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole CAS Name: 3-[4-[4-(3-pyridinylmethyl)-1-piperazinyl]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole IUPAC Name: 3-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole Traditional Name: 3-[4-[4-(3-pyridylmethyl)piperazino]butyl]-5-(1,2,4-triazol-4-yl)-1H-indole Formula: C24H29N7 MolecularWeight: 415.53396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CN=CC=C5

InChI

InChI=1S/C24H29N7/c1(2-9-29-10-12-30(13-11-29)17-20-4-3-8-25-15-20)5-21-16-26-24-7-6-22(14-23(21)24)31-18-27-28-19-31/h3-4,6-8,14-16,18-19,26H,1-2,5,9-13,17H2