4-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-3-nitro-benzamide Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C22H20ClN3O4/c23-18-8-7-16(12-19(18)26(28)29)22(27)24-13-20(21-6-3-11-30-21)25-10-9-15-4-1-2-5-17(15)14-25/h1-8,11-12,20H,9-10,13-14H2,(H,24,27)/t20-/m0/s1