2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(phenylmethyl)imidazo[4,5-c]pyridin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(phenylmethyl)imidazo[4,5-c]pyridin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-5-benzyl-3-but-2-ynyl-imidazo[4,5-c]pyridin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(phenylmethyl)-4-imidazo[4,5-c]pyridinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-5-benzyl-3-but-2-ynylimidazo[4,5-c]pyridin-4-one Traditional Name: 2-(3-aminopiperidino)-5-benzyl-3-but-2-ynyl-imidazo[4,5-c]pyridin-4-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=CN(C2=O)CC3=CC=CC=C3)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(C=CN(C2=O)CC3=CC=CC=C3)N=C1N4CCCC(C4)N

InChI

InChI=1S/C22H25N5O/c1-2-3-13-27-20-19(24-22(27)26-12-7-10-18(23)16-26)11-14-25(21(20)28)15-17-8-5-4-6-9-17/h4-6,8-9,11,14,18H,7,10,12-13,15-16,23H2,1H3