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

Systemtic Name: 6-chloranyl-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H22ClN3O3/c1-25(13-17-12-24-26(15-17)14-16-6-3-2-4-7-16)22(27)18-10-19(23)21-20(11-18)28-8-5-9-29-21/h2-4,6-7,10-12,15H,5,8-9,13-14H2,1H3