(1S)-1-methyl-2-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

Systemtic Name: (1S)-1-methyl-2-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine Openeye Name: (1S)-2-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine CAS Name: (1S)-1-methyl-2-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine IUPAC Name: (1S)-1-methyl-2-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine Traditional Name: (1S)-2-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CN2CCN1CC3=CN=C(N3CCC4=CC=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

C[C@H]1C2=CC=CN2CCN1CC3=CN=C(N3CCC4=CC=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H30N4O2S/c1-18(2)30(28,29)23-24-16-21(27(23)13-11-20-8-5-4-6-9-20)17-26-15-14-25-12-7-10-22(25)19(26)3/h4-10,12,16,18-19H,11,13-15,17H2,1-3H3/t19-/m0/s1