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

Systemtic Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[2-(dipentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]isoquinoline-3-carboxamide CAS Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[2-(diamylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]isoquinoline-3-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=CC4=CC=CC=C4C=N3

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

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