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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(dimethylamino)benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(dimethylamino)benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-(dimethylamino)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(dimethylamino)benzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(dimethylamino)benzamide Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N5O/c1-29(2)22-12-8-10-20(18-22)25(31)26-21-11-7-9-19(17-21)23-13-14-24(28-27-23)30-15-5-3-4-6-16-30/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,26,31)