5-[4-(aminomethyl)piperidin-1-yl]-2-(3-phenylmethoxypropyl)pyridazin-3-one

Systemtic Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-phenylmethoxypropyl)pyridazin-3-one Openeye Name: 5-[4-(aminomethyl)-1-piperidyl]-2-(3-benzyloxypropyl)pyridazin-3-one CAS Name: 5-[4-(aminomethyl)-1-piperidinyl]-2-(3-phenylmethoxypropyl)-3-pyridazinone IUPAC Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-phenylmethoxypropyl)pyridazin-3-one Traditional Name: 5-[4-(aminomethyl)piperidino]-2-(3-benzoxypropyl)pyridazin-3-one Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=CC(=O)N(N=C2)CCCOCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CN)C2=CC(=O)N(N=C2)CCCOCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2/c21-14-17-7-10-23(11-8-17)19-13-20(25)24(22-15-19)9-4-12-26-16-18-5-2-1-3-6-18/h1-3,5-6,13,15,17H,4,7-12,14,16,21H2