2-azanyl-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-one

Systemtic Name: 2-azanyl-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-one Openeye Name: 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridyl)phenyl]imidazol-4-one CAS Name: 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-4-imidazolone IUPAC Name: 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-one Traditional Name: 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridyl)phenyl]-2-imidazolin-4-one Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)C3(C(=O)N(C(=N3)N)C)C4CC4

Isomeric SMILES

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)C3(C(=O)N(C(=N3)N)C)C4CC4

InChI

InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)