N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(imidazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)CN5C=CN=C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)CN5C=CN=C5

InChI

InChI=1S/C27H28N6O/c34-27(22-10-8-21(9-11-22)19-32-17-14-28-20-32)29-24-7-5-6-23(18-24)25-12-13-26(31-30-25)33-15-3-1-2-4-16-33/h5-14,17-18,20H,1-4,15-16,19H2,(H,29,34)