ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylamino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylamino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylamino]-3-oxo-propanoate CAS Name: 3-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylamino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylamino]-3-oxopropanoate Traditional Name: 3-keto-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylamino]propionic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NCC1=C(N(N=C1C)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)NCC1=C(N(N=C1C)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H22N4O3/c1-3-27-19(26)13-18(25)21-14-17-15(2)22-24(16-9-5-4-6-10-16)20(17)23-11-7-8-12-23/h4-12H,3,13-14H2,1-2H3,(H,21,25)