4-(benzotriazol-1-ylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c28-23(24-18-10-11-21-22(14-18)30-13-3-12-29-21)17-8-6-16(7-9-17)15-27-20-5-2-1-4-19(20)25-26-27/h1-2,4-11,14H,3,12-13,15H2,(H,24,28)