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

Systemtic Name: N-(2-dimethylaminoethyl)-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-dimethylaminoethyl)pyridine-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-dimethylaminoethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]-N-(2-dimethylaminoethyl)nicotinamide Formula: C29H33N7O MolecularWeight: 495.61862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N7O/c1-34(2)15-14-30-29(37)23-12-13-27(31-21-23)35-16-18-36(19-17-35)28-25-11-7-6-10-24(25)26(32-33-28)20-22-8-4-3-5-9-22/h3-13,21H,14-20H2,1-2H3,(H,30,37)