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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-cyano-benzamide Formula: C24H23N5O MolecularWeight: 397.47232

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O/c25-17-18-8-10-19(11-9-18)24(30)26-21-7-5-6-20(16-21)22-12-13-23(28-27-22)29-14-3-1-2-4-15-29/h5-13,16H,1-4,14-15H2,(H,26,30)