3-azanyl-7-nitro-2-(phenylmethyl)-4-pyridin-2-yl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-2-(phenylmethyl)-4-pyridin-2-yl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one Openeye Name: 3-amino-2-benzyl-7-nitro-4-(2-pyridyl)-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one CAS Name: 3-amino-7-nitro-2-(phenylmethyl)-4-(2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one IUPAC Name: 3-amino-2-benzyl-7-nitro-4-pyridin-2-yl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-7-nitro-4-(2-pyridyl)-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1[N+](=O)[O-])C(=O)N(C(C2C3=CC=CC=N3)N)CC4=CC=CC=C4

Isomeric SMILES

C1CC2C(CC1[N+](=O)[O-])C(=O)N(C(C2C3=CC=CC=N3)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c22-20-19(18-8-4-5-11-23-18)16-10-9-15(25(27)28)12-17(16)21(26)24(20)13-14-6-2-1-3-7-14/h1-8,11,15-17,19-20H,9-10,12-13,22H2