3-[[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-phenyl-amino]propyl N-methylcarbamate

Systemtic Name: 3-[[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-phenyl-amino]propyl N-methylcarbamate Openeye Name: 3-(N-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]anilino)propyl N-methylcarbamate CAS Name: N-methylcarbamic acid 3-(N-[(E)-3-(1H-indazol-3-yl)-1-oxoprop-2-enyl]anilino)propyl ester IUPAC Name: 3-(N-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]anilino)propyl N-methylcarbamate Traditional Name: N-methylcarbamic acid 3-(N-[(E)-3-(1H-indazol-3-yl)acryloyl]anilino)propyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OCCCN(C1=CC=CC=C1)C(=O)C=CC2=NNC3=CC=CC=C32

Isomeric SMILES

CNC(=O)OCCCN(C1=CC=CC=C1)C(=O)/C=C/C2=NNC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3/c1-22-21(27)28-15-7-14-25(16-8-3-2-4-9-16)20(26)13-12-19-17-10-5-6-11-18(17)23-24-19/h2-6,8-13H,7,14-15H2,1H3,(H,22,27)(H,23,24)/b13-12+