N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]isoquinoline-3-carboxamide CAS Name: N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-(6-methoxy-3,4-dihydro-1H-pyrazin[1,2-a]indol-2-yl)butyl]isoquinoline-3-carboxamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N3CCN(CC3=C2)CCCCNC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

COC1=CC=CC2=C1N3CCN(CC3=C2)CCCCNC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C26H28N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15-17H,4-5,11-14,18H2,1H3,(H,27,31)