N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3Cl)OCCCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3Cl)OCCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O4/c1-33-20-10-8-19(9-11-20)26-21(17-31(30-26)16-18-6-3-2-4-7-18)27(32)29-23-15-25-24(14-22(23)28)34-12-5-13-35-25/h2-4,6-11,14-15,17H,5,12-13,16H2,1H3,(H,29,32)