2-butoxyethanoic acid; N-cyclopentyl-5,6-diphenyl-pyrazin-2-amine

Systemtic Name: 2-butoxyethanoic acid; N-cyclopentyl-5,6-diphenyl-pyrazin-2-amine Openeye Name: 2-butoxyacetic acid; N-cyclopentyl-5,6-diphenyl-pyrazin-2-amine CAS Name: 2-butoxyacetic acid; N-cyclopentyl-5,6-diphenyl-2-pyrazinamine IUPAC Name: 2-butoxyacetic acid; N-cyclopentyl-5,6-diphenylpyrazin-2-amine Traditional Name: 2-butoxyacetic acid; cyclopentyl-(5,6-diphenylpyrazin-2-yl)amine Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)O.C1CCC(C1)NC2=CN=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOCC(=O)O.C1CCC(C1)NC2=CN=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3.C6H12O3/c1-3-9-16(10-4-1)20-21(17-11-5-2-6-12-17)24-19(15-22-20)23-18-13-7-8-14-18;1-2-3-4-9-5-6(7)8/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24);2-5H2,1H3,(H,7,8)