5-(4-azidophenyl)-7-chloranyl-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(4-azidophenyl)-7-chloranyl-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-azidophenyl)-7-chloro-1-methyl-3-(2-naphthylmethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 5-(4-azidophenyl)-7-chloro-1-methyl-3-(2-naphthalenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-azidophenyl)-7-chloro-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-azidophenyl)-7-chloro-1-methyl-3-(2-naphthylmethyl)-3H-1,4-benzodiazepin-2-one Formula: C27H20ClN5O MolecularWeight: 465.9336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)N=[N+]=[N-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)N=[N+]=[N-]

InChI

InChI=1S/C27H20ClN5O/c1-33-25-13-10-21(28)16-23(25)26(19-8-11-22(12-9-19)31-32-29)30-24(27(33)34)15-17-6-7-18-4-2-3-5-20(18)14-17/h2-14,16,24H,15H2,1H3