1-(6-chloranylpyridazin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperidine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C27H31ClN6O MolecularWeight: 491.02764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31ClN6O/c28-25-12-13-26(31-30-25)34-14-4-7-22(20-34)27(35)29-23-8-10-24(11-9-23)33-17-15-32(16-18-33)19-21-5-2-1-3-6-21/h1-3,5-6,8-13,22H,4,7,14-20H2,(H,29,35)