N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[(1S,2R)-2-[[[cyano(cyclopropyl)methyl]amino]-oxomethyl]cyclohexyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-pyrrol-1-yl-benzamide Formula: C23H26N4O2 MolecularWeight: 390.47814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(C#N)C2CC2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC(C#N)C2CC2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H26N4O2/c24-15-21(16-7-8-16)26-23(29)19-5-1-2-6-20(19)25-22(28)17-9-11-18(12-10-17)27-13-3-4-14-27/h3-4,9-14,16,19-21H,1-2,5-8H2,(H,25,28)(H,26,29)/t19-,20+,21?/m1/s1