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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H20ClN3O3/c1-14-7-8-24-25(14)17-5-3-16(4-6-17)21(26)23-13-15-11-18(22)20-19(12-15)27-9-2-10-28-20/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,26)