N-[1-[3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-4-oxidanylidene-imidazo[4,5-d]pyridazin-2-yl]piperidin-3-yl]carbamate

Systemtic Name: N-[1-[3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-4-oxidanylidene-imidazo[4,5-d]pyridazin-2-yl]piperidin-3-yl]carbamate Openeye Name: N-[1-[3-but-2-ynyl-5-(1-naphthylmethyl)-4-oxo-imidazo[4,5-d]pyridazin-2-yl]-3-piperidyl]carbamate CAS Name: N-[1-[3-but-2-ynyl-5-(1-naphthalenylmethyl)-4-oxo-2-imidazo[4,5-d]pyridazinyl]-3-piperidinyl]carbamate IUPAC Name: N-[1-[3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-4-oxoimidazo[4,5-d]pyridazin-2-yl]piperidin-3-yl]carbamate Traditional Name: N-[1-[3-but-2-ynyl-4-keto-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-2-yl]-3-piperidyl]carbamate Formula: C26H25N6O3- MolecularWeight: 469.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1N5CCCC(C5)NC(=O)[O-]

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1N5CCCC(C5)NC(=O)[O-]

InChI

InChI=1S/C26H26N6O3/c1-2-3-14-31-23-22(29-25(31)30-13-7-11-20(17-30)28-26(34)35)15-27-32(24(23)33)16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,15,20,28H,7,11,13-14,16-17H2,1H3,(H,34,35)/p-1