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

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-6-methyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-6-methyl-5-(1-naphthalenylmethyl)imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-6-methyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazine-4,7-quinone Formula: C26H28N6O2 MolecularWeight: 456.53952

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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)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=CC=CC4=CC=CC=C43)C)N=C1N5CCC[C@H](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(33)29(2)32(25(23)34)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/t20-/m1/s1