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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenyl-propanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenyl-propanamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-phenylpropanamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylpropanamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenyl-propionamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c30-25(16-13-20-9-4-3-5-10-20)26-22-12-8-11-21(19-22)23-14-15-24(28-27-23)29-17-6-1-2-7-18-29/h3-5,8-12,14-15,19H,1-2,6-7,13,16-18H2,(H,26,30)