N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-1-(3,4-dimethylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-1-(3,4-dimethylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-1-(3,4-dimethylphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-1-(3,4-dimethylphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)-4-keto-pyridazine-3-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NCC(C3=CC=CS3)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC[C@@H](C3=CC=CS3)N4CCCCCC4)C

InChI

InChI=1S/C25H30N4O2S/c1-18-9-10-20(16-19(18)2)29-14-11-22(30)24(27-29)25(31)26-17-21(23-8-7-15-32-23)28-12-5-3-4-6-13-28/h7-11,14-16,21H,3-6,12-13,17H2,1-2H3,(H,26,31)/t21-/m0/s1