2-piperazin-1-ylethyl N-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]carbamate

Systemtic Name: 2-piperazin-1-ylethyl N-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]carbamate Openeye Name: 2-piperazin-1-ylethyl N-[4-[(E)-3-(6-morpholino-2-pyridyl)prop-2-enoyl]phenyl]carbamate CAS Name: N-[4-[(E)-3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxoprop-2-enyl]phenyl]carbamic acid 2-(1-piperazinyl)ethyl ester IUPAC Name: 2-piperazin-1-ylethyl N-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]carbamate Traditional Name: N-[4-[(E)-3-(6-morpholino-2-pyridyl)acryloyl]phenyl]carbamic acid 2-piperazinoethyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC(=O)NC2=CC=C(C=C2)C(=O)C=CC3=NC(=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1)CCOC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=NC(=CC=C3)N4CCOCC4

InChI

InChI=1S/C25H31N5O4/c31-23(9-8-21-2-1-3-24(27-21)30-15-17-33-18-16-30)20-4-6-22(7-5-20)28-25(32)34-19-14-29-12-10-26-11-13-29/h1-9,26H,10-19H2,(H,28,32)/b9-8+