N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]isoquinoline-1-carboxamide Openeye Name: N-[2-(dipentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]isoquinoline-1-carboxamide CAS Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]isoquinoline-1-carboxamide Traditional Name: N-[2-(diamylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]isoquinoline-1-carboxamide Formula: C31H38N4O2 MolecularWeight: 498.65902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C31H38N4O2/c1-3-5-11-19-35(20-12-6-4-2)31(37)28(21-24-22-33-27-16-10-9-14-25(24)27)34-30(36)29-26-15-8-7-13-23(26)17-18-32-29/h7-10,13-18,22,28,33H,3-6,11-12,19-21H2,1-2H3,(H,34,36)