N-[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]adamantane-1-carboxamide Openeye Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl]adamantane-1-carboxamide CAS Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl]adamantane-1-carboxamide Traditional Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl]adamantane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)N)C#N

InChI

InChI=1S/C27H33N5O2/c28-14-21-2-1-5-32(21)25(33)23(29)9-19-15-30-24-4-3-20(10-22(19)24)31-26(34)27-11-16-6-17(12-27)8-18(7-16)13-27/h3-4,10,15-18,21,23,30H,1-2,5-9,11-13,29H2,(H,31,34)/t16?,17?,18?,21-,23-,27?/m0/s1