4-(benzotriazol-1-ylmethyl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzamide Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)Cl)OC1

InChI

InChI=1S/C24H21ClN4O3/c25-19-12-17(13-22-23(19)32-11-3-10-31-22)14-26-24(30)18-8-6-16(7-9-18)15-29-21-5-2-1-4-20(21)27-28-29/h1-2,4-9,12-13H,3,10-11,14-15H2,(H,26,30)