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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-3-nitro-benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(m-tolyl)-3-nitro-benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(m-tolyl)-3-nitro-benzamide Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3/c1-16-5-4-8-20(13-16)24-23(27)18-9-10-21(22(14-18)26(28)29)25-12-11-17-6-2-3-7-19(17)15-25/h2-10,13-14H,11-12,15H2,1H3,(H,24,27)