2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-(1-naphthylmethyl)-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-5-(1-naphthalenylmethyl)-6-prop-2-ynylimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)-6-prop-2-ynylimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-(1-naphthylmethyl)-6-propargyl-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=CC=CC4=CC=CC=C43)CC#C)N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C28H28N6O2/c1-3-5-17-32-25-24(30-28(32)31-16-9-13-22(29)19-31)26(35)33(15-4-2)34(27(25)36)18-21-12-8-11-20-10-6-7-14-23(20)21/h2,6-8,10-12,14,22H,9,13,15-19,29H2,1H3/t22-/m1/s1