N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenyl-triazole-4-carboxamide Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7O/c33-25(23-18-26-32(30-23)21-11-4-3-5-12-21)27-20-10-8-9-19(17-20)22-13-14-24(29-28-22)31-15-6-1-2-7-16-31/h3-5,8-14,17-18H,1-2,6-7,15-16H2,(H,27,33)