6-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H24ClN3O3/c1-15-19(16(2)27(26-15)14-17-7-4-3-5-8-17)13-25-23(28)18-11-20(24)22-21(12-18)29-9-6-10-30-22/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3,(H,25,28)