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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethyl-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethyl-benzamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C25H28N4O/c1-18-7-8-21(17-19(18)2)25(30)26-22-11-9-20(10-12-22)23-13-14-24(28-27-23)29-15-5-3-4-6-16-29/h7-14,17H,3-6,15-16H2,1-2H3,(H,26,30)