7-(diethylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid

Systemtic Name: 7-(diethylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid Openeye Name: 7-(diethylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid CAS Name: 7-[diethylamino(oxo)methyl]-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid IUPAC Name: 7-(diethylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid Traditional Name: 7-(diethylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazin[1,2-a]indole-2-carboxylic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(CC3N2C(CN(C3)C(=O)O)C)C=C1

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(CC3N2C(CN(C3)C(=O)O)C)C=C1

InChI

InChI=1S/C18H25N3O3/c1-4-19(5-2)17(22)14-7-6-13-8-15-11-20(18(23)24)10-12(3)21(15)16(13)9-14/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,23,24)