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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-nitro-benzamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4/c1-30-20-8-4-7-19(14-20)24-23(27)17-9-10-21(22(13-17)26(28)29)25-12-11-16-5-2-3-6-18(16)15-25/h2-10,13-14H,11-12,15H2,1H3,(H,24,27)