6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]-N-propyl-pyridine-3-carboxamide

Systemtic Name: 6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]-N-propyl-pyridine-3-carboxamide Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propyl-pyridine-3-carboxamide CAS Name: 6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-N-propyl-3-pyridinecarboxamide IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]-N-propyl-nicotinamide Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O/c1-2-14-29-28(35)22-12-13-26(30-20-22)33-15-17-34(18-16-33)27-24-11-7-6-10-23(24)25(31-32-27)19-21-8-4-3-5-9-21/h3-13,20H,2,14-19H2,1H3,(H,29,35)