4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazin-1-yl-indol-2-yl]butanal

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazin-1-yl-indol-2-yl]butanal Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazin-1-yl-indol-2-yl]butanal CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-piperazinyl)-2-indolyl]butanal IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazin-1-ylindol-2-yl]butanal Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazino-indol-2-yl]butyraldehyde Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=CC4=C3C=C(N4N5CCNCC5)CCCC=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=CC4=C3C=C(N4N5CCNCC5)CCCC=O

InChI

InChI=1S/C25H30N4O/c30-17-4-3-8-22-18-23-24(27-14-11-20-6-1-2-7-21(20)19-27)9-5-10-25(23)29(22)28-15-12-26-13-16-28/h1-2,5-7,9-10,17-18,26H,3-4,8,11-16,19H2