3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C34H37N3O2 MolecularWeight: 519.67648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CC6CCC(C5)CC6

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CC6CCC(C5)CC6

InChI

InChI=1S/C34H37N3O2/c1-2-30(26-11-5-3-6-12-26)35-33(38)32-28-15-9-10-16-29(28)34(39)37(27-13-7-4-8-14-27)31(32)23-36-21-24-17-18-25(22-36)20-19-24/h3-16,24-25,30H,2,17-23H2,1H3,(H,35,38)/t24?,25?,30-/m0/s1