3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3/c24-18(21-8-7-13-3-1-2-4-15(13)10-21)14-5-6-16(17(9-14)23(25)26)22-12-19-11-20-22/h1-6,9,11-12H,7-8,10H2