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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-32-22-11-8-20(9-12-22)26-23(18-30(29-26)17-19-6-3-2-4-7-19)27(31)28-21-10-13-24-25(16-21)34-15-5-14-33-24/h2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,28,31)