8-bromanyl-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one

Systemtic Name: 8-bromanyl-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one Openeye Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one CAS Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one IUPAC Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one Traditional Name: 8-bromo-1-[4-(diethylamino)benzyl]-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one Formula: C27H28BrN3O MolecularWeight: 490.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CN2C(=O)CCN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CN2C(=O)CCN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O/c1-3-30(4-2)23-13-10-20(11-14-23)19-31-25-15-12-22(28)18-24(25)27(29-17-16-26(31)32)21-8-6-5-7-9-21/h5-15,18H,3-4,16-17,19H2,1-2H3