4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one

Systemtic Name: 4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Openeye Name: 4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one CAS Name: 4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one IUPAC Name: 4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Traditional Name: 4-(4-chlorophenyl)-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Formula: C23H22ClN2O+ MolecularWeight: 377.88658

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C[NH+]1CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C[NH+]1CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2O/c24-20-10-12-21(13-11-20)26-17-25(15-14-18-6-2-1-3-7-18)16-19-8-4-5-9-22(19)23(26)27/h1-13H,14-17H2/p+1