N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4-diethoxybenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxybenzamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4)OCC

InChI

InChI=1S/C27H32N4O3/c1-3-33-24-15-11-21(19-25(24)34-4-2)27(32)28-22-12-9-20(10-13-22)23-14-16-26(30-29-23)31-17-7-5-6-8-18-31/h9-16,19H,3-8,17-18H2,1-2H3,(H,28,32)