N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-[1-(phenylmethyl)piperidin-4-yl]phthalazin-1-amine

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-[1-(phenylmethyl)piperidin-4-yl]phthalazin-1-amine Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-(1-benzyl-4-piperidyl)-7-methoxy-phthalazin-1-amine CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-7-methoxy-4-[1-(phenylmethyl)-4-piperidinyl]-1-phthalazinamine IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-(1-benzylpiperidin-4-yl)-7-methoxyphthalazin-1-amine Traditional Name: [4-(1-benzyl-4-piperidyl)-7-methoxy-phthalazin-1-yl]-(1-piperonyl-4-piperidyl)amine Formula: C34H39N5O3 MolecularWeight: 565.70516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6CCN(CC6)CC7=CC=CC=C7

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6CCN(CC6)CC7=CC=CC=C7

InChI

InChI=1S/C34H39N5O3/c1-40-28-8-9-29-30(20-28)34(37-36-33(29)26-11-15-38(16-12-26)21-24-5-3-2-4-6-24)35-27-13-17-39(18-14-27)22-25-7-10-31-32(19-25)42-23-41-31/h2-10,19-20,26-27H,11-18,21-23H2,1H3,(H,35,37)