azepan-1-yl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methanone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCCCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCCCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-30-22-13-12-20(16-23(22)31-2)24-21(25(29)27-14-8-3-4-9-15-27)18-28(26-24)17-19-10-6-5-7-11-19/h5-7,10-13,16,18H,3-4,8-9,14-15,17H2,1-2H3