N1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperidin-1-yl)phthalazine-1,7-diamine

Systemtic Name: N1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperidin-1-yl)phthalazine-1,7-diamine Openeye Name: N1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-1-piperidyl)phthalazine-1,7-diamine CAS Name: N1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-1-piperidinyl)phthalazine-1,7-diamine IUPAC Name: 1-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperidin-1-yl)phthalazine-1,7-diamine Traditional Name: [7-amino-4-(4-methylpiperidino)phthalazin-1-yl]-piperonyl-amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)N)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)N)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N5O2/c1-14-6-8-27(9-7-14)22-17-4-3-16(23)11-18(17)21(25-26-22)24-12-15-2-5-19-20(10-15)29-13-28-19/h2-5,10-11,14H,6-9,12-13,23H2,1H3,(H,24,25)