4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitro-benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitro-benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitrobenzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)-3-nitro-benzamide Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3/c1-2-17-7-5-6-10-21(17)25-24(28)19-11-12-22(23(15-19)27(29)30)26-14-13-18-8-3-4-9-20(18)16-26/h3-12,15H,2,13-14,16H2,1H3,(H,25,28)