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

Systemtic Name: 7-(butylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid Openeye Name: 7-(butylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid CAS Name: 7-[butylamino(oxo)methyl]-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid IUPAC Name: 7-(butylcarbamoyl)-4-methyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid Traditional Name: 7-(butylcarbamoyl)-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:

CCCCNC(=O)C1=CC2=C(CC3N2C(CN(C3)C(=O)O)C)C=C1

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(CC3N2C(CN(C3)C(=O)O)C)C=C1

InChI

InChI=1S/C18H25N3O3/c1-3-4-7-19-17(22)14-6-5-13-8-15-11-20(18(23)24)10-12(2)21(15)16(13)9-14/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22)(H,23,24)