[5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] ethanoate

Systemtic Name: [5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] ethanoate Openeye Name: [5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] acetate CAS Name: acetic acid [5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] ester IUPAC Name: [5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] acetate Traditional Name: acetic acid [5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1H-pyrazol-3-yl] ester Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NNC(=C1)CC2CCCCC(=N2)N

Isomeric SMILES

CC(=O)OC1=NNC(=C1)CC2CCCCC(=N2)N

InChI

InChI=1S/C12H18N4O2/c1-8(17)18-12-7-10(15-16-12)6-9-4-2-3-5-11(13)14-9/h7,9H,2-6H2,1H3,(H2,13,14)(H,15,16)