methyl 3-[[3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Openeye Name: methyl 3-[[1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate CAS Name: 3-[[3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Traditional Name: 3-[[1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propionic acid methyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)CCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O3/c1-3-12-25-18-9-8-16(22-11-10-19(26)28-2)15-17(18)20(23-25)21(27)24-13-6-4-5-7-14-24/h3,16,22H,1,4-15H2,2H3