2-butoxyethanoic acid; 3-chloranyl-5,6-diphenyl-N-propan-2-yl-pyrazin-2-amine

Systemtic Name: 2-butoxyethanoic acid; 3-chloranyl-5,6-diphenyl-N-propan-2-yl-pyrazin-2-amine Openeye Name: 2-butoxyacetic acid; 3-chloro-N-isopropyl-5,6-diphenyl-pyrazin-2-amine CAS Name: 2-butoxyacetic acid; 3-chloro-5,6-diphenyl-N-propan-2-yl-2-pyrazinamine IUPAC Name: 2-butoxyacetic acid; 3-chloro-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine Traditional Name: 2-butoxyacetic acid; (3-chloro-5,6-diphenyl-pyrazin-2-yl)-isopropyl-amine Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)O.CC(C)NC1=NC(=C(N=C1Cl)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOCC(=O)O.CC(C)NC1=NC(=C(N=C1Cl)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3.C6H12O3/c1-13(2)21-19-18(20)22-16(14-9-5-3-6-10-14)17(23-19)15-11-7-4-8-12-15;1-2-3-4-9-5-6(7)8/h3-13H,1-2H3,(H,21,23);2-5H2,1H3,(H,7,8)