N-(2-methoxyethyl)-6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(2-methoxyethyl)-6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide CAS Name: N-(2-methoxyethyl)-6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]-N-(2-methoxyethyl)nicotinamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O2/c1-36-18-13-29-28(35)22-11-12-26(30-20-22)33-14-16-34(17-15-33)27-24-10-6-5-9-23(24)25(31-32-27)19-21-7-3-2-4-8-21/h2-12,20H,13-19H2,1H3,(H,29,35)