N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(2-oxidanylideneazepan-1-yl)ethanamide

Systemtic Name: N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(2-oxidanylideneazepan-1-yl)ethanamide Openeye Name: N-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-oxoazepan-1-yl)acetamide CAS Name: N-[(Z)-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methylideneamino]-2-(2-oxo-1-azepanyl)acetamide IUPAC Name: N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(2-oxoazepan-1-yl)acetamide Traditional Name: N-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-ketoazepan-1-yl)acetamide Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=NNC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=N\NC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C21H30N6O2/c1-15(2)27-20(9-10-23-27)26-16(3)12-18(17(26)4)13-22-24-19(28)14-25-11-7-5-6-8-21(25)29/h9-10,12-13,15H,5-8,11,14H2,1-4H3,(H,24,28)/b22-13-