3-(3-ethanoylphenyl)-1-methyl-6-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one

Systemtic Name: 3-(3-ethanoylphenyl)-1-methyl-6-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Openeye Name: 3-(3-acetylphenyl)-1-methyl-6-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one CAS Name: 3-(3-acetylphenyl)-1-methyl-6-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one IUPAC Name: 3-(3-acetylphenyl)-1-methyl-6-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Traditional Name: 3-(3-acetylphenyl)-1-methyl-6-(2-methyl-4-pyrazol-1-yl-benzyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC4=C(C3)C=C(C(=O)N4C)C5=CC(=CC=C5)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC4=C(C3)C=C(C(=O)N4C)C5=CC(=CC=C5)C(=O)C

InChI

InChI=1S/C28H28N4O2/c1-19-14-25(32-12-5-11-29-32)9-8-23(19)17-31-13-10-27-24(18-31)16-26(28(34)30(27)3)22-7-4-6-21(15-22)20(2)33/h4-9,11-12,14-16H,10,13,17-18H2,1-3H3/p+1