2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methoxy-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methoxy-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-7-methoxy-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-7-methoxy-5-(1-naphthalenylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-7-methoxy-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-7-methoxy-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C26H28N6O2 MolecularWeight: 456.53952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=NN(C2=O)CC3=CC=CC4=CC=CC=C43)OC)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=NN(C2=O)CC3=CC=CC4=CC=CC=C43)OC)N=C1N5CCCC(C5)N

InChI

InChI=1S/C26H28N6O2/c1-3-4-15-31-23-22(28-26(31)30-14-8-12-20(27)17-30)24(34-2)29-32(25(23)33)16-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,20H,8,12,14-17,27H2,1-2H3