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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-cyano-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-cyano-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-cyanobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-cyanobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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