ethyl 2-azanyl-3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-2,5-dien-1-yl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-2,5-dien-1-yl]propanoate Openeye Name: ethyl 2-amino-3-[4-[[4-(4-pyridyl)piperazin-1-yl]methylene]cyclohexa-2,5-dien-1-yl]propanoate CAS Name: 2-amino-3-[4-[(4-pyridin-4-yl-1-piperazinyl)methylidene]-1-cyclohexa-2,5-dienyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-2,5-dien-1-yl]propanoate Traditional Name: 2-amino-3-[4-[[4-(4-pyridyl)piperazino]methylene]cyclohexa-2,5-dien-1-yl]propionic acid ethyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1C=CC(=CN2CCN(CC2)C3=CC=NC=C3)C=C1)N

Isomeric SMILES

CCOC(=O)C(CC1C=CC(=CN2CCN(CC2)C3=CC=NC=C3)C=C1)N

InChI

InChI=1S/C21H28N4O2/c1-2-27-21(26)20(22)15-17-3-5-18(6-4-17)16-24-11-13-25(14-12-24)19-7-9-23-10-8-19/h3-10,16-17,20H,2,11-15,22H2,1H3