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

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-prop-2-enyl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 6-allyl-2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-6-prop-2-enyl-5-(2-quinolinylmethyl)imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-prop-2-enyl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 6-allyl-2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-quinone Formula: C27H29N7O2 MolecularWeight: 483.56486

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)CC=C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)CC=C)N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C27H29N7O2/c1-3-5-16-32-24-23(30-27(32)31-15-8-10-20(28)17-31)25(35)33(14-4-2)34(26(24)36)18-21-13-12-19-9-6-7-11-22(19)29-21/h4,6-7,9,11-13,20H,2,8,10,14-18,28H2,1H3/t20-/m1/s1