N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C28H30N6O3/c1-36-21-10-12-26(37-2)22(17-21)24-18-25(32-31-24)28(35)29-20-9-7-8-19(16-20)23-11-13-27(33-30-23)34-14-5-3-4-6-15-34/h7-13,16-18H,3-6,14-15H2,1-2H3,(H,29,35)(H,31,32)