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

Systemtic Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]phenanthrene-3-carboxamide Openeye Name: N-[2-(dipentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]phenanthrene-3-carboxamide CAS Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-phenanthrenecarboxamide IUPAC Name: N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]phenanthrene-3-carboxamide Traditional Name: N-[2-(diamylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]phenanthrene-3-carboxamide Formula: C36H41N3O2 MolecularWeight: 547.72964

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=C(C=CC5=CC=CC=C54)C=C3

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3

InChI

InChI=1S/C36H41N3O2/c1-3-5-11-21-39(22-12-6-4-2)36(41)34(24-29-25-37-33-16-10-9-15-31(29)33)38-35(40)28-20-19-27-18-17-26-13-7-8-14-30(26)32(27)23-28/h7-10,13-20,23,25,34,37H,3-6,11-12,21-22,24H2,1-2H3,(H,38,40)