[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]methylcarbamic acid

Systemtic Name: [4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]methylcarbamic acid Openeye Name: [4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]methylcarbamic acid CAS Name: [4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]phenyl]methylcarbamic acid IUPAC Name: [4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]methylcarbamic acid Traditional Name: [4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzyl]carbamic acid Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)CNC(=O)O)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)CNC(=O)O)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H21BrN2O4/c1-16(30)24-23(18-5-3-2-4-6-18)22-13-21(27)12-11-20(22)15-29(24)25(31)19-9-7-17(8-10-19)14-28-26(32)33/h2-13,28H,14-15H2,1H3,(H,32,33)